5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole

C93H61N21 — CID 159516178

About 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole

5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole (PubChem CID 159516178) has the molecular formula C93H61N21 and a molecular weight of 1472.66 g/mol. Its IUPAC name is 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
• PubChem CID: 159516178
• Molecular Formula: C93H61N21
• Molecular Weight: 1472.66 g/mol
• Exact Mass: 1471.54
• IUPAC Name: 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
• SMILES: Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1ccc(-n2c3ccncc3c3cnccc32)cc1C.c1ccc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)cc1.c1ccc2c(c1)c1ncccc1n2-c1nc(-n2ccnc2)nc(-n2ccnc2)n1
• InChI: InChI=1S/C39H24N6.C34H24N6.C20H13N9/c1-2-9-25(10-3-1)43-32-18-16-27(24-29(32)38-35(43)14-7-21-41-38)45-33-19-17-26(23-30(33)39-36(45)15-8-22-42-39)44-31-12-5-4-11-28(31)37-34(44)13-6-20-40-37;1-21-15-23(39-31-7-11-35-17-27(31)28-18-36-12-8-32(28)39)3-5-25(21)26-6-4-24(16-22(26)2)40-33-9-13-37-19-29(33)30-20-38-14-10-34(30)40;1-2-5-15-14(4-1)17-16(6-3-7-23-17)29(15)20-25-18(27-10-8-21-12-27)24-19(26-20)28-11-9-22-13-28/h1-24H;3-20H,1-2H3;1-13H
• InChIKey: MBFLVABCLAGANS-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 207.01 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.66
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole?

The IUPAC name of 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole (CID 159516178) is 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole.

What is the SMILES notation for 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole?

The canonical SMILES for 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole is Cc1cc(-n2c3ccncc3c3cnccc32)ccc1-c1ccc(-n2c3ccncc3c3cnccc32)cc1C.c1ccc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)cc1.c1ccc2c(c1)c1ncccc1n2-c1nc(-n2ccnc2)nc(-n2ccnc2)n1.

What is the InChIKey of 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole?

The InChIKey is MBFLVABCLAGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6.C34H24N6.C20H13N9/c1-2-9-25(10-3-1)43-32-18-16-27(24-29(32)38-35(43)14-7-21-41-38)45-33-19-17-26(23-30(33)39-36(45)15-8-22-42-39)44-31-12-5-4-11-28(31)37-34(44)13-6-20-40-37;1-21-15-23(39-31-7-11-35-17-27(31)28-18-36-12-8-32(28)39)3-5-25(21)26-6-4-24(16-22(26)2)40-33-9-13-37-19-29(33)30-20-38-14-10-34(30)40;1-2-5-15-14(4-1)17-16(6-3-7-23-17)29(15)20-25-18(27-10-8-21-12-27)24-19(26-20)28-11-9-22-13-28/h1-24H;3-20H,1-2H3;1-13H.

What are the key properties of 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole?

5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole has a molecular weight of 1472.66 g/mol, XLogP of 19.64, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 159516178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).