5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline

C123H82N10 — CID 157098601

About 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline

5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline (PubChem CID 157098601) has the molecular formula C123H82N10 and a molecular weight of 1700.08 g/mol. Its IUPAC name is 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline.

Molecular Properties

• Compound Name: 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline
• PubChem CID: 157098601
• Molecular Formula: C123H82N10
• Molecular Weight: 1700.08 g/mol
• Exact Mass: 1698.67
• IUPAC Name: 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline
• SMILES: Cn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C43H28N4.C40H26N4.C40H28N2/c1-3-12-33(13-4-1)42-45-40(37-28-27-31-11-7-8-16-36(31)41(37)46-42)32-23-19-29(20-24-32)30-21-25-34(26-22-30)43-44-38-17-9-10-18-39(38)47(43)35-14-5-2-6-15-35;1-3-12-27(13-4-1)38-42-39(28-14-5-2-6-15-28)44-40(43-38)33-23-31(30-17-11-21-41-26-30)22-32(24-33)37-25-29-16-7-8-18-34(29)35-19-9-10-20-36(35)37;1-42-37-24-22-31(26-36(37)41-40(42)29-17-9-4-10-18-29)30-21-23-34-35(25-30)39(28-15-7-3-8-16-28)33-20-12-11-19-32(33)38(34)27-13-5-2-6-14-27/h1-28H;1-26H;2-26H,1H3
• InChIKey: AFMPXCKPJMRPKE-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1700.08
LogP ≤ 5	31.25
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 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The IUPAC name of 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline (CID 157098601) is 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline.

What is the SMILES notation for 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The canonical SMILES for 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline is Cn1c(-c2ccccc2)nc2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)cc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.

What is the InChIKey of 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

The InChIKey is AFMPXCKPJMRPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4.C40H26N4.C40H28N2/c1-3-12-33(13-4-1)42-45-40(37-28-27-31-11-7-8-16-36(31)41(37)46-42)32-23-19-29(20-24-32)30-21-25-34(26-22-30)43-44-38-17-9-10-18-39(38)47(43)35-14-5-2-6-15-35;1-3-12-27(13-4-1)38-42-39(28-14-5-2-6-15-28)44-40(43-38)33-23-31(30-17-11-21-41-26-30)22-32(24-33)37-25-29-16-7-8-18-34(29)35-19-9-10-20-36(35)37;1-42-37-24-22-31(26-36(37)41-40(42)29-17-9-4-10-18-29)30-21-23-34-35(25-30)39(28-15-7-3-8-16-28)33-20-12-11-19-32(33)38(34)27-13-5-2-6-14-27/h1-28H;1-26H;2-26H,1H3.

What are the key properties of 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline?

5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline has a molecular weight of 1700.08 g/mol, XLogP of 31.25, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,10-diphenylanthracen-2-yl)-1-methyl-2-phenylbenzimidazole;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 157098601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).