(2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole

C160H159Cl3N8S+4 — CID 167636300

About (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole

(2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole (PubChem CID 167636300) has the molecular formula C160H159Cl3N8S+4 and a molecular weight of 2332.51 g/mol. Its IUPAC name is (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole.

Molecular Properties

• Compound Name: (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole
• PubChem CID: 167636300
• Molecular Formula: C160H159Cl3N8S+4
• Molecular Weight: 2332.51 g/mol
• Exact Mass: 2329.15
• IUPAC Name: (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole
• SMILES: CCCCn1/c(=C\C=C(Cl)\C=C\C2=[N+](CCCC)c3cccc4cccc2c34)c2cccc3cccc1c32.CCCCn1/c(=C\C=C\C=C\C2=[N+](CCCC)c3ccc(Cl)c4cccc2c34)c2cccc3c(Cl)ccc1c32.CN1/C(=C/C=C/C2=C/C(=C/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CC(C)(C)C2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C\C=C2/CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2c1ccc1ccccc21
• InChI: InChI=1S/C46H45N2S.C44H47N2.C35H33Cl2N2.C35H34ClN2/c1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)42(38)45)29-25-33-17-14-18-34(44(33)49-35-19-8-7-9-20-35)26-30-41-46(3,4)43-37-22-13-11-16-32(37)24-28-39(43)48(41)6;1-42(2)28-30(15-13-21-38-43(3,4)40-34-19-11-9-17-32(34)23-25-36(40)45(38)7)27-31(29-42)16-14-22-39-44(5,6)41-35-20-12-10-18-33(35)24-26-37(41)46(39)8;1-3-5-22-38-30(26-14-10-12-24-28(36)18-20-32(38)34(24)26)16-8-7-9-17-31-27-15-11-13-25-29(37)19-21-33(35(25)27)39(31)23-6-4-2;1-3-5-23-37-30(28-15-7-11-25-13-9-17-32(37)34(25)28)21-19-27(36)20-22-31-29-16-8-12-26-14-10-18-33(35(26)29)38(31)24-6-4-2/h7-13,15-16,19-30H,14,17-18H2,1-6H3;9-27H,28-29H2,1-8H3;7-21H,3-6,22-23H2,1-2H3;7-22H,3-6,23-24H2,1-2H3/q4*+1
• InChIKey: ONGYFKBLVHMHKP-UHFFFAOYSA-N
• XLogP: 41.61
• TPSA: 28.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2332.51
LogP ≤ 5	41.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole?

The IUPAC name of (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole (CID 167636300) is (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole.

What is the SMILES notation for (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole?

The canonical SMILES for (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole is CCCCn1/c(=C\C=C(Cl)\C=C\C2=[N+](CCCC)c3cccc4cccc2c34)c2cccc3cccc1c32.CCCCn1/c(=C\C=C\C=C\C2=[N+](CCCC)c3ccc(Cl)c4cccc2c34)c2cccc3c(Cl)ccc1c32.CN1/C(=C/C=C/C2=C/C(=C/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)CC(C)(C)C2)C(C)(C)c2c1ccc1ccccc21.CN1/C(=C\C=C2/CCCC(/C=C/C3=[N+](C)c4ccc5ccccc5c4C3(C)C)=C2Sc2ccccc2)C(C)(C)c2c1ccc1ccccc21.

What is the InChIKey of (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole?

The InChIKey is ONGYFKBLVHMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N2S.C44H47N2.C35H33Cl2N2.C35H34ClN2/c1-45(2)40(47(5)38-27-23-31-15-10-12-21-36(31)42(38)45)29-25-33-17-14-18-34(44(33)49-35-19-8-7-9-20-35)26-30-41-46(3,4)43-37-22-13-11-16-32(37)24-28-39(43)48(41)6;1-42(2)28-30(15-13-21-38-43(3,4)40-34-19-11-9-17-32(34)23-25-36(40)45(38)7)27-31(29-42)16-14-22-39-44(5,6)41-35-20-12-10-18-33(35)24-26-37(41)46(39)8;1-3-5-22-38-30(26-14-10-12-24-28(36)18-20-32(38)34(24)26)16-8-7-9-17-31-27-15-11-13-25-29(37)19-21-33(35(25)27)39(31)23-6-4-2;1-3-5-23-37-30(28-15-7-11-25-13-9-17-32(37)34(25)28)21-19-27(36)20-22-31-29-16-8-12-26-14-10-18-33(35(26)29)38(31)24-6-4-2/h7-13,15-16,19-30H,14,17-18H2,1-6H3;9-27H,28-29H2,1-8H3;7-21H,3-6,22-23H2,1-2H3;7-22H,3-6,23-24H2,1-2H3/q4*+1.

What are the key properties of (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole?

(2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole has a molecular weight of 2332.51 g/mol, XLogP of 41.61, 27 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-1-butyl-2-[(2Z,4E)-5-(1-butylbenzo[cd]indol-1-ium-2-yl)-3-chloropenta-2,4-dienylidene]benzo[cd]indole;(2Z)-1-butyl-2-[(2E,4E)-5-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)penta-2,4-dienylidene]-6-chlorobenzo[cd]indole;(2E)-2-[(E)-3-[(3E)-5,5-dimethyl-3-[(E)-3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]cyclohexen-1-yl]prop-2-enylidene]-1,1,3-trimethylbenzo[e]indole;(2Z)-1,1,3-trimethyl-2-[(2E)-2-[2-phenylsulfanyl-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole is sourced from PubChem (CID 167636300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).