8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide

C158H160N16O6S6+6 — CID 161370326

About 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide

8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide (PubChem CID 161370326) has the molecular formula C158H160N16O6S6+6 and a molecular weight of 2571.53 g/mol. Its IUPAC name is 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide.

Molecular Properties

• Compound Name: 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide
• PubChem CID: 161370326
• Molecular Formula: C158H160N16O6S6+6
• Molecular Weight: 2571.53 g/mol
• Exact Mass: 2569.10
• IUPAC Name: 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide
• SMILES: CN(C)c1ccc(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)CCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(N(C)C)cc6)cc[n+]4-5)ccc2-3)cc1.Cc1c(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)CCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6c(C)n(C)c7ccccc67)cc[n+]4-5)ccc2-3)c2ccccc2n1C.Cn1cc(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)NCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6cn(C)c7ccccc67)cc[n+]4-5)ccc2-3)c2ccccc21
• InChI: InChI=1S/C55H54N5O2S2.C52H48N6O2S2.C51H54N5O2S2/c1-34-51(40-14-9-11-16-44(40)57(34)7)37-23-26-59-46-21-19-36(30-42(46)54(3,4)49(59)32-37)48(61)18-13-28-63-64-29-25-56-53(62)39-20-22-47-43(31-39)55(5,6)50-33-38(24-27-60(47)50)52-35(2)58(8)45-17-12-10-15-41(45)52;1-51(2)41-27-35(15-17-45(41)57-23-19-33(29-47(51)57)39-31-55(5)43-13-9-7-11-37(39)43)49(59)53-21-25-61-62-26-22-54-50(60)36-16-18-46-42(28-36)52(3,4)48-30-34(20-24-58(46)48)40-32-56(6)44-14-10-8-12-38(40)44;1-50(2)42-30-38(15-21-44(42)55-26-23-36(32-47(50)55)34-11-17-40(18-12-34)53(5)6)46(57)10-9-28-59-60-29-25-52-49(58)39-16-22-45-43(31-39)51(3,4)48-33-37(24-27-56(45)48)35-13-19-41(20-14-35)54(7)8/h9-12,14-17,19-24,26-27,30-33H,13,18,25,28-29H2,1-8H3;7-20,23-24,27-32H,21-22,25-26H2,1-6H3;11-24,26-27,30-33H,9-10,25,28-29H2,1-8H3/q+1;;+1/p+4
• InChIKey: VQJLOEWFQVYMGX-UHFFFAOYSA-R
• XLogP: 30.36
• TPSA: 200.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.53
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide?

The IUPAC name of 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide (CID 161370326) is 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide.

What is the SMILES notation for 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide?

The canonical SMILES for 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide is CN(C)c1ccc(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)CCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(N(C)C)cc6)cc[n+]4-5)ccc2-3)cc1.Cc1c(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)CCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6c(C)n(C)c7ccccc67)cc[n+]4-5)ccc2-3)c2ccccc2n1C.Cn1cc(-c2cc[n+]3c(c2)C(C)(C)c2cc(C(=O)NCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)c4cc(-c6cn(C)c7ccccc67)cc[n+]4-5)ccc2-3)c2ccccc21.

What is the InChIKey of 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide?

The InChIKey is VQJLOEWFQVYMGX-UHFFFAOYSA-R. The full InChI is InChI=1S/C55H54N5O2S2.C52H48N6O2S2.C51H54N5O2S2/c1-34-51(40-14-9-11-16-44(40)57(34)7)37-23-26-59-46-21-19-36(30-42(46)54(3,4)49(59)32-37)48(61)18-13-28-63-64-29-25-56-53(62)39-20-22-47-43(31-39)55(5,6)50-33-38(24-27-60(47)50)52-35(2)58(8)45-17-12-10-15-41(45)52;1-51(2)41-27-35(15-17-45(41)57-23-19-33(29-47(51)57)39-31-55(5)43-13-9-7-11-37(39)43)49(59)53-21-25-61-62-26-22-54-50(60)36-16-18-46-42(28-36)52(3,4)48-30-34(20-24-58(46)48)40-32-56(6)44-14-10-8-12-38(40)44;1-50(2)42-30-38(15-21-44(42)55-26-23-36(32-47(50)55)34-11-17-40(18-12-34)53(5)6)46(57)10-9-28-59-60-29-25-52-49(58)39-16-22-45-43(31-39)51(3,4)48-33-37(24-27-56(45)48)35-13-19-41(20-14-35)54(7)8/h9-12,14-17,19-24,26-27,30-33H,13,18,25,28-29H2,1-8H3;7-20,23-24,27-32H,21-22,25-26H2,1-6H3;11-24,26-27,30-33H,9-10,25,28-29H2,1-8H3/q+1;;+1/p+4.

What are the key properties of 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide?

8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide has a molecular weight of 2571.53 g/mol, XLogP of 30.36, 37 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(dimethylamino)phenyl]-N-[2-[[4-[8-[4-(dimethylamino)phenyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;8-(1,2-dimethylindol-3-yl)-N-[2-[[4-[8-(1,2-dimethylindol-3-yl)-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-yl]-4-oxobutyl]disulfanyl]ethyl]-10,10-dimethylpyrido[1,2-a]indol-5-ium-2-carboxamide;N-[2-[2-[[10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carbonyl]amino]ethyldisulfanyl]ethyl]-10,10-dimethyl-8-(1-methylindol-3-yl)pyrido[1,2-a]indol-5-ium-2-carboxamide is sourced from PubChem (CID 161370326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).