5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole

C172H110N6 — CID 158249092

About 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole

5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole (PubChem CID 158249092) has the molecular formula C172H110N6 and a molecular weight of 2260.81 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole
• PubChem CID: 158249092
• Molecular Formula: C172H110N6
• Molecular Weight: 2260.81 g/mol
• Exact Mass: 2258.88
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc43)cc21.c1ccc(-c2nccc3c2c2cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc2n3-c2cc3ccccc3c3ccccc23)cc1.c1ccc2cc(-n3c4ccncc4c4cc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7cccc8ccccc78)c6c5)ccc43)ccc2c1
• InChI: InChI=1S/C65H40N2.C55H34N2.C52H36N2/c1-2-16-43(17-3-1)65-64-58-39-47(31-33-59(58)67(60(64)34-35-66-65)61-40-48-20-8-9-21-51(48)52-22-10-11-23-53(52)61)46-30-32-56-57(38-46)63(50-29-27-42-15-5-7-19-45(42)37-50)55-25-13-12-24-54(55)62(56)49-28-26-41-14-4-6-18-44(41)36-49;1-2-14-38-31-41(26-23-35(38)11-1)57-52-28-25-40(32-49(52)51-34-56-30-29-53(51)57)39-24-27-48-50(33-39)55(45-22-10-16-37-13-4-6-18-43(37)45)47-20-8-7-19-46(47)54(48)44-21-9-15-36-12-3-5-17-42(36)44;1-52(2)46-20-12-11-17-38(46)39-25-23-37(31-47(39)52)54-48-26-22-36(29-43(48)45-32-53-28-27-49(45)54)35-21-24-42-44(30-35)51(34-15-7-4-8-16-34)41-19-10-9-18-40(41)50(42)33-13-5-3-6-14-33/h1-40H;1-34H;3-32H,1-2H3
• InChIKey: GGMLGTOVEOQTKJ-UHFFFAOYSA-N
• XLogP: 46.50
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2260.81
LogP ≤ 5	46.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole (CID 158249092) is 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole.

What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole?

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole is CC1(C)c2ccccc2-c2ccc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc43)cc21.c1ccc(-c2nccc3c2c2cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc2n3-c2cc3ccccc3c3ccccc23)cc1.c1ccc2cc(-n3c4ccncc4c4cc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7cccc8ccccc78)c6c5)ccc43)ccc2c1.

What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole?

The InChIKey is GGMLGTOVEOQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2.C55H34N2.C52H36N2/c1-2-16-43(17-3-1)65-64-58-39-47(31-33-59(58)67(60(64)34-35-66-65)61-40-48-20-8-9-21-51(48)52-22-10-11-23-53(52)61)46-30-32-56-57(38-46)63(50-29-27-42-15-5-7-19-45(42)37-50)55-25-13-12-24-54(55)62(56)49-28-26-41-14-4-6-18-44(41)36-49;1-2-14-38-31-41(26-23-35(38)11-1)57-52-28-25-40(32-49(52)51-34-56-30-29-53(51)57)39-24-27-48-50(33-39)55(45-22-10-16-37-13-4-6-18-43(37)45)47-20-8-7-19-46(47)54(48)44-21-9-15-36-12-3-5-17-42(36)44;1-52(2)46-20-12-11-17-38(46)39-25-23-37(31-47(39)52)54-48-26-22-36(29-43(48)45-32-53-28-27-49(45)54)35-21-24-42-44(30-35)51(34-15-7-4-8-16-34)41-19-10-9-18-40(41)50(42)33-13-5-3-6-14-33/h1-40H;1-34H;3-32H,1-2H3.

What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole?

5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole has a molecular weight of 2260.81 g/mol, XLogP of 46.50, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)pyrido[4,3-b]indole;8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-naphthalen-2-ylpyrido[4,3-b]indole;8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenanthren-9-yl-1-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 158249092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).