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246517-73-7

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Basic Information
CAS No.: 246517-73-7
Name: 1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE
Molecular Structure:
Molecular Structure of 246517-73-7 (1,3,3-TRIMETHYL-2-((E)-2-(2-PHENYL-3-[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL)ETHENYL)-3H-INDOLIUM TETRAFLUOROBORATE)
Formula: C38H41BF4N2
Molecular Weight: 612.55
Synonyms: 1,3,3-trimethyl-2-((E)-2-{2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3H-indolium tetrafluoroborate;
PSA: 6.25000
LogP: 10.44820
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Specification

The 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-3H-indolium tetrafluoroborate, with CAS registry number 246517-73-7, has the systematic name of 1,3,3-trimethyl-2-[(E)-2-[(3E)-2-phenyl-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]vinyl]indol-1-ium tetrafluoroborate. And the chemical formula of this chemical is C38H41BF4N2.

Physical properties of 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-3H-indolium tetrafluoroborate: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4.

You can still convert the following datas into molecular structure:
(1)SMILES: [B-](F)(F)(F)F.CC1(c2ccccc2[N+](=C1C=CC3=C(C(=CC=C4C(c5ccccc5N4C)(C)C)CCC3)c6ccccc6)C)C
(2)InChI: InChI=1/C38H41N2.BF4/c1-37(2)30-19-10-12-21-32(30)39(5)34(37)25-23-28-17-14-18-29(36(28)27-15-8-7-9-16-27)24-26-35-38(3,4)31-20-11-13-22-33(31)40(35)6;2-1(3,4)5/h7-13,15-16,19-26H,14,17-18H2,1-6H3;/q+1;-1
(3)InChIKey: SDMBNWXOOSXOML-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C38H41N2.BF4/c1-37(2)30-19-10-12-21-32(30)39(5)34(37)25-23-28-17-14-18-29(36(28)27-15-8-7-9-16-27)24-26-35-38(3,4)31-20-11-13-22-33(31)40(35)6;2-1(3,4)5/h7-13,15-16,19-26H,14,17-18H2,1-6H3;/q+1;-1
(5)Std. InChIKey: SDMBNWXOOSXOML-UHFFFAOYSA-N