9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole

C119H74N10 — CID 159575994

About 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole

9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole (PubChem CID 159575994) has the molecular formula C119H74N10 and a molecular weight of 1643.97 g/mol. Its IUPAC name is 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole
• PubChem CID: 159575994
• Molecular Formula: C119H74N10
• Molecular Weight: 1643.97 g/mol
• Exact Mass: 1642.61
• IUPAC Name: 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole
• SMILES: c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)cc3c3cccnc32)cc1.c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6n5)c5ccccc45)cc3c3cccnc32)cc1.c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccccn5)c5ccccc45)cc3c3cccnc32)cc1
• InChI: InChI=1S/C43H26N4.C40H25N3.C36H23N3/c1-2-11-30(12-3-1)47-38-23-21-29(26-36(38)35-17-9-25-45-43(35)47)39-31-13-4-6-15-33(31)40(34-16-7-5-14-32(34)39)37-22-20-28-19-18-27-10-8-24-44-41(27)42(28)46-37;1-2-12-28(13-3-1)43-37-23-21-27(25-34(37)33-18-10-24-41-40(33)43)38-29-14-5-7-16-31(29)39(32-17-8-6-15-30(32)38)36-22-20-26-11-4-9-19-35(26)42-36;1-2-11-25(12-3-1)39-33-20-19-24(23-31(33)30-17-10-22-38-36(30)39)34-26-13-4-6-15-28(26)35(32-18-8-9-21-37-32)29-16-7-5-14-27(29)34/h1-26H;1-25H;1-23H
• InChIKey: MIKJJSKBGXNHAM-UHFFFAOYSA-N
• XLogP: 30.50
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1643.97
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole?

The IUPAC name of 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole (CID 159575994) is 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole.

What is the SMILES notation for 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole?

The canonical SMILES for 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole is c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)cc3c3cccnc32)cc1.c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6n5)c5ccccc45)cc3c3cccnc32)cc1.c1ccc(-n2c3ccc(-c4c5ccccc5c(-c5ccccn5)c5ccccc45)cc3c3cccnc32)cc1.

What is the InChIKey of 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole?

The InChIKey is MIKJJSKBGXNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4.C40H25N3.C36H23N3/c1-2-11-30(12-3-1)47-38-23-21-29(26-36(38)35-17-9-25-45-43(35)47)39-31-13-4-6-15-33(31)40(34-16-7-5-14-32(34)39)37-22-20-28-19-18-27-10-8-24-44-41(27)42(28)46-37;1-2-12-28(13-3-1)43-37-23-21-27(25-34(37)33-18-10-24-41-40(33)43)38-29-14-5-7-16-31(29)39(32-17-8-6-15-30(32)38)36-22-20-26-11-4-9-19-35(26)42-36;1-2-11-25(12-3-1)39-33-20-19-24(23-31(33)30-17-10-22-38-36(30)39)34-26-13-4-6-15-28(26)35(32-18-8-9-21-37-32)29-16-7-5-14-27(29)34/h1-26H;1-25H;1-23H.

What are the key properties of 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole?

9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole has a molecular weight of 1643.97 g/mol, XLogP of 30.50, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-6-(10-pyridin-2-ylanthracen-9-yl)pyrido[2,3-b]indole;2-[10-(9-phenylpyrido[2,3-b]indol-6-yl)anthracen-9-yl]-1,10-phenanthroline;9-phenyl-6-(10-quinolin-2-ylanthracen-9-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 159575994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).