2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole

C125H74N10O2 — CID 159924161

About 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole

2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole (PubChem CID 159924161) has the molecular formula C125H74N10O2 and a molecular weight of 1748.03 g/mol. Its IUPAC name is 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole
• PubChem CID: 159924161
• Molecular Formula: C125H74N10O2
• Molecular Weight: 1748.03 g/mol
• Exact Mass: 1746.60
• IUPAC Name: 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole
• SMILES: c1ccc(-n2c(-c3cc(-c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5cccnc5c5ncccc45)c3)c3ncccc3cc2c1.c1cnc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cccc5ncccc45)c3)c3cccnc3cc2c1
• InChI: InChI=1S/C53H32N2.C38H22N4O.C34H20N4O/c1-2-18-41(19-3-1)55-49-26-9-8-25-48(49)54-53(55)40-30-37(29-39(31-40)52-42-20-6-4-13-34(42)27-35-14-5-7-21-43(35)52)38-28-36-17-12-23-45-44-22-10-15-33-16-11-24-46(50(33)44)47(32-38)51(36)45;1-2-11-29-23(8-1)18-24-9-5-15-39-35(24)34(29)27-19-26(20-28(21-27)38-42-32-13-3-4-14-33(32)43-38)31-22-25-10-6-16-40-36(25)37-30(31)12-7-17-41-37;1-2-13-31-29(11-1)38-34(39-31)24-18-22(25-8-3-12-28-26(25)9-5-14-35-28)17-23(19-24)32-27-10-6-15-36-30(27)20-21-7-4-16-37-33(21)32/h1-32H;1-22H;1-20H
• InChIKey: NYUGFWGZBMNZHE-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 147.22 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.03
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?

The IUPAC name of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole (CID 159924161) is 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole.

What is the SMILES notation for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?

The canonical SMILES for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole is c1ccc(-n2c(-c3cc(-c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5cccnc5c5ncccc45)c3)c3ncccc3cc2c1.c1cnc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cccc5ncccc45)c3)c3cccnc3cc2c1.

What is the InChIKey of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?

The InChIKey is NYUGFWGZBMNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2.C38H22N4O.C34H20N4O/c1-2-18-41(19-3-1)55-49-26-9-8-25-48(49)54-53(55)40-30-37(29-39(31-40)52-42-20-6-4-13-34(42)27-35-14-5-7-21-43(35)52)38-28-36-17-12-23-45-44-22-10-15-33-16-11-24-46(50(33)44)47(32-38)51(36)45;1-2-11-29-23(8-1)18-24-9-5-15-39-35(24)34(29)27-19-26(20-28(21-27)38-42-32-13-3-4-14-33(32)43-38)31-22-25-10-6-16-40-36(25)37-30(31)12-7-17-41-37;1-2-13-31-29(11-1)38-34(39-31)24-18-22(25-8-3-12-28-26(25)9-5-14-35-28)17-23(19-24)32-27-10-6-15-36-30(27)20-21-7-4-16-37-33(21)32/h1-32H;1-22H;1-20H.

What are the key properties of 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole?

2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole has a molecular weight of 1748.03 g/mol, XLogP of 32.48, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-anthracen-9-yl-5-perylen-2-ylphenyl)-1-phenylbenzimidazole;2-[3-benzo[g]quinolin-10-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzoxazole;2-(3-pyrido[2,3-g]quinolin-5-yl-5-quinolin-5-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 159924161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).