2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole

C154H152N8+4 — CID 158156351

About 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole

2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole (PubChem CID 158156351) has the molecular formula C154H152N8+4 and a molecular weight of 2114.97 g/mol. Its IUPAC name is 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole.

Molecular Properties

• Compound Name: 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole
• PubChem CID: 158156351
• Molecular Formula: C154H152N8+4
• Molecular Weight: 2114.97 g/mol
• Exact Mass: 2113.21
• IUPAC Name: 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole
• SMILES: CCC[N+]1=C(C=CC=C2N(C)c3ccc4ccccc4c3C2(C)Cc2ccc(Cc3ccc(CC4(C)C(=CC=CC5=[N+](CCC)c6ccccc6C5(C)C)N(C)c5ccc6ccccc6c54)cc3)cc2)C(C)(C)c2ccccc21.CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(Cc2ccc(Cc3ccc(CC4(C)C(=CC=CC5=[N+](C)c6ccc7ccccc7c6C5(C)C)N(C)c5ccc6ccccc6c54)cc3)cc2)c2c1ccc1ccccc21
• InChI: InChI=1S/C79H74N4.C75H78N4/c1-76(2)68(80(7)64-45-41-56-21-11-15-25-60(56)72(64)76)29-19-31-70-78(5,74-62-27-17-13-23-58(62)43-47-66(74)82(70)9)50-54-37-33-52(34-38-54)49-53-35-39-55(40-36-53)51-79(6)71(83(10)67-48-44-59-24-14-18-28-63(59)75(67)79)32-20-30-69-77(3,4)73-61-26-16-12-22-57(61)42-46-65(73)81(69)8;1-11-47-78-62-29-19-17-27-60(62)72(3,4)66(78)31-21-33-68-74(7,70-58-25-15-13-23-56(58)43-45-64(70)76(68)9)50-54-39-35-52(36-40-54)49-53-37-41-55(42-38-53)51-75(8)69(77(10)65-46-44-57-24-14-16-26-59(57)71(65)75)34-22-32-67-73(5,6)61-28-18-20-30-63(61)79(67)48-12-2/h11-48H,49-51H2,1-10H3;13-46H,11-12,47-51H2,1-10H3/q2*+2
• InChIKey: FVSURTQLRHCMQB-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 25.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2114.97
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole?

The IUPAC name of 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole (CID 158156351) is 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole.

What is the SMILES notation for 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole?

The canonical SMILES for 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole is CCC[N+]1=C(C=CC=C2N(C)c3ccc4ccccc4c3C2(C)Cc2ccc(Cc3ccc(CC4(C)C(=CC=CC5=[N+](CCC)c6ccccc6C5(C)C)N(C)c5ccc6ccccc6c54)cc3)cc2)C(C)(C)c2ccccc21.CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(Cc2ccc(Cc3ccc(CC4(C)C(=CC=CC5=[N+](C)c6ccc7ccccc7c6C5(C)C)N(C)c5ccc6ccccc6c54)cc3)cc2)c2c1ccc1ccccc21.

What is the InChIKey of 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole?

The InChIKey is FVSURTQLRHCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H74N4.C75H78N4/c1-76(2)68(80(7)64-45-41-56-21-11-15-25-60(56)72(64)76)29-19-31-70-78(5,74-62-27-17-13-23-58(62)43-47-66(74)82(70)9)50-54-37-33-52(34-38-54)49-53-35-39-55(40-36-53)51-79(6)71(83(10)67-48-44-59-24-14-18-28-63(59)75(67)79)32-20-30-69-77(3,4)73-61-26-16-12-22-57(61)42-46-65(73)81(69)8;1-11-47-78-62-29-19-17-27-60(62)72(3,4)66(78)31-21-33-68-74(7,70-58-25-15-13-23-56(58)43-45-64(70)76(68)9)50-54-39-35-52(36-40-54)49-53-37-41-55(42-38-53)51-75(8)69(77(10)65-46-44-57-24-14-16-26-59(57)71(65)75)34-22-32-67-73(5,6)61-28-18-20-30-63(61)79(67)48-12-2/h11-48H,49-51H2,1-10H3;13-46H,11-12,47-51H2,1-10H3/q2*+2.

What are the key properties of 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole?

2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole has a molecular weight of 2114.97 g/mol, XLogP of 35.42, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[[4-[[2-[3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethylbenzo[e]indole;1-[[4-[[4-[[1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenyl]methyl]phenyl]methyl]-1,3-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole is sourced from PubChem (CID 158156351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).