1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole

C184H204Cl4N12+6 — CID 158272713

About 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole

1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole (PubChem CID 158272713) has the molecular formula C184H204Cl4N12+6 and a molecular weight of 2725.55 g/mol. Its IUPAC name is 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole.

Molecular Properties

• Compound Name: 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
• PubChem CID: 158272713
• Molecular Formula: C184H204Cl4N12+6
• Molecular Weight: 2725.55 g/mol
• Exact Mass: 2721.51
• IUPAC Name: 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole
• SMILES: C=CCC1(C)C(/C=C/C=C2/N(C)c3ccccc3C2(C)CC=C)=[N+](C)c2ccccc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccc(Cl)cc3C2(C)C)N(C)c2ccc(Cl)cc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)Cc2ccccc2)N(C)c2ccccc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)N(C)c2ccccc21.C=CCC1(C)C(C=CC=C2N(C)c3ccc(Cl)cc3C2(CC=C)CC=C)=[N+](CCC(C)C)c2ccccc21.C=CCC1(CC=C)C(=CC=CC2=[N+](C)c3ccc(Cl)cc3C2(C)C)N(C)c2ccccc21
• InChI: InChI=1S/C37H37N2.C35H42ClN2.C29H32ClN2.C29H33N2.C27H29Cl2N2.C27H31N2/c1-6-25-36(2)30-19-12-13-20-31(30)38(4)33(36)21-14-22-34-37(3,26-27-15-8-7-9-16-27)35-29-18-11-10-17-28(29)23-24-32(35)39(34)5;1-8-21-34(6)28-14-11-12-15-31(28)38(24-20-26(4)5)32(34)16-13-17-33-35(22-9-2,23-10-3)29-25-27(36)18-19-30(29)37(33)7;1-7-18-29(19-8-2)22-12-9-10-13-24(22)32(6)27(29)15-11-14-26-28(3,4)23-20-21(30)16-17-25(23)31(26)5;1-7-20-28(3)22-14-9-11-16-24(22)30(5)26(28)18-13-19-27-29(4,21-8-2)23-15-10-12-17-25(23)31(27)6;1-7-15-27(4)21-17-19(29)12-14-23(21)31(6)25(27)10-8-9-24-26(2,3)20-16-18(28)11-13-22(20)30(24)5;1-7-19-27(4)21-14-9-11-16-23(21)29(6)25(27)18-12-17-24-26(2,3)20-13-8-10-15-22(20)28(24)5/h6-24H,1,25-26H2,2-5H3;8-19,25-26H,1-3,20-24H2,4-7H3;7-17,20H,1-2,18-19H2,3-6H3;7-19H,1-2,20-21H2,3-6H3;7-14,16-17H,1,15H2,2-6H3;7-18H,1,19H2,2-6H3/q6*+1
• InChIKey: GJFWJTUZOAEFIX-UHFFFAOYSA-N
• XLogP: 45.33
• TPSA: 37.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 37
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2725.55
LogP ≤ 5	45.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?

The IUPAC name of 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole (CID 158272713) is 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole.

What is the SMILES notation for 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?

The canonical SMILES for 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole is C=CCC1(C)C(/C=C/C=C2/N(C)c3ccccc3C2(C)CC=C)=[N+](C)c2ccccc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccc(Cl)cc3C2(C)C)N(C)c2ccc(Cl)cc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)Cc2ccccc2)N(C)c2ccccc21.C=CCC1(C)C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)N(C)c2ccccc21.C=CCC1(C)C(C=CC=C2N(C)c3ccc(Cl)cc3C2(CC=C)CC=C)=[N+](CCC(C)C)c2ccccc21.C=CCC1(CC=C)C(=CC=CC2=[N+](C)c3ccc(Cl)cc3C2(C)C)N(C)c2ccccc21.

What is the InChIKey of 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?

The InChIKey is GJFWJTUZOAEFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N2.C35H42ClN2.C29H32ClN2.C29H33N2.C27H29Cl2N2.C27H31N2/c1-6-25-36(2)30-19-12-13-20-31(30)38(4)33(36)21-14-22-34-37(3,26-27-15-8-7-9-16-27)35-29-18-11-10-17-28(29)23-24-32(35)39(34)5;1-8-21-34(6)28-14-11-12-15-31(28)38(24-20-26(4)5)32(34)16-13-17-33-35(22-9-2,23-10-3)29-25-27(36)18-19-30(29)37(33)7;1-7-18-29(19-8-2)22-12-9-10-13-24(22)32(6)27(29)15-11-14-26-28(3,4)23-20-21(30)16-17-25(23)31(26)5;1-7-20-28(3)22-14-9-11-16-24(22)30(5)26(28)18-13-19-27-29(4,21-8-2)23-15-10-12-17-25(23)31(27)6;1-7-15-27(4)21-17-19(29)12-14-23(21)31(6)25(27)10-8-9-24-26(2,3)20-16-18(28)11-13-22(20)30(24)5;1-7-19-27(4)21-14-9-11-16-23(21)29(6)25(27)18-12-17-24-26(2,3)20-13-8-10-15-22(20)28(24)5/h6-24H,1,25-26H2,2-5H3;8-19,25-26H,1-3,20-24H2,4-7H3;7-17,20H,1-2,18-19H2,3-6H3;7-19H,1-2,20-21H2,3-6H3;7-14,16-17H,1,15H2,2-6H3;7-18H,1,19H2,2-6H3/q6*+1.

What are the key properties of 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole?

1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole has a molecular weight of 2725.55 g/mol, XLogP of 45.33, 37 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-[3-(1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium;5-chloro-2-[3-(5-chloro-1,3-dimethyl-3-prop-2-enylindol-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium;5-chloro-1-methyl-2-[3-[3-methyl-1-(3-methylbutyl)-3-prop-2-enylindol-1-ium-2-yl]prop-2-enylidene]-3,3-bis(prop-2-enyl)indole;5-chloro-1,3,3-trimethyl-2-[3-[1-methyl-3,3-bis(prop-2-enyl)indol-2-ylidene]prop-1-enyl]indol-1-ium;(2E)-2-[(E)-3-(1,3-dimethyl-3-prop-2-enylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethyl-3-prop-2-enylindole;1,3-dimethyl-3-prop-2-enyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole is sourced from PubChem (CID 158272713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).