2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole

C134H85N11O2S — CID 157157283

About 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole

2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole (PubChem CID 157157283) has the molecular formula C134H85N11O2S and a molecular weight of 1913.30 g/mol. Its IUPAC name is 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole
• PubChem CID: 157157283
• Molecular Formula: C134H85N11O2S
• Molecular Weight: 1913.30 g/mol
• Exact Mass: 1911.66
• IUPAC Name: 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole
• SMILES: c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cncc5ccccc45)c3)cccc2c1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)nc(-c4cncc5ccccc45)c3)cccc2c1.c1cncc(-c2cc(-c3cccc4ccccc34)cc(-c3ccc(-c4nc5ccccc5s4)cc3)n2)c1
• InChI: InChI=1S/C38H25N3.C33H21N3S.C32H20N2O.C31H19N3O/c1-2-14-32(15-3-1)41-36-19-9-8-18-35(36)40-38(41)31-23-29(28-13-10-20-39-25-28)22-30(24-31)37-33-16-6-4-11-26(33)21-27-12-5-7-17-34(27)37;1-2-10-27-22(7-1)8-5-11-28(27)26-19-30(35-31(20-26)25-9-6-18-34-21-25)23-14-16-24(17-15-23)33-36-29-12-3-4-13-32(29)37-33;1-3-11-26-21(8-1)10-7-13-28(26)23-16-24(29-20-33-19-22-9-2-4-12-27(22)29)18-25(17-23)32-34-30-14-5-6-15-31(30)35-32;1-3-11-23-20(8-1)10-7-13-25(23)22-16-28(26-19-32-18-21-9-2-4-12-24(21)26)33-29(17-22)31-34-27-14-5-6-15-30(27)35-31/h1-25H;1-21H;1-20H;1-19H
• InChIKey: ALYOJOIJAQSQFA-UHFFFAOYSA-N
• XLogP: 35.09
• TPSA: 160.11 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.30
LogP ≤ 5	35.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole?

The IUPAC name of 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole (CID 157157283) is 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole.

What is the SMILES notation for 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole?

The canonical SMILES for 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole is c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4c5ccccc5cc5ccccc45)c3)nc3ccccc32)cc1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)cc(-c4cncc5ccccc45)c3)cccc2c1.c1ccc2c(-c3cc(-c4nc5ccccc5o4)nc(-c4cncc5ccccc45)c3)cccc2c1.c1cncc(-c2cc(-c3cccc4ccccc34)cc(-c3ccc(-c4nc5ccccc5s4)cc3)n2)c1.

What is the InChIKey of 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole?

The InChIKey is ALYOJOIJAQSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3.C33H21N3S.C32H20N2O.C31H19N3O/c1-2-14-32(15-3-1)41-36-19-9-8-18-35(36)40-38(41)31-23-29(28-13-10-20-39-25-28)22-30(24-31)37-33-16-6-4-11-26(33)21-27-12-5-7-17-34(27)37;1-2-10-27-22(7-1)8-5-11-28(27)26-19-30(35-31(20-26)25-9-6-18-34-21-25)23-14-16-24(17-15-23)33-36-29-12-3-4-13-32(29)37-33;1-3-11-26-21(8-1)10-7-13-28(26)23-16-24(29-20-33-19-22-9-2-4-12-27(22)29)18-25(17-23)32-34-30-14-5-6-15-31(30)35-32;1-3-11-23-20(8-1)10-7-13-25(23)22-16-28(26-19-32-18-21-9-2-4-12-24(21)26)33-29(17-22)31-34-27-14-5-6-15-30(27)35-31/h1-25H;1-21H;1-20H;1-19H.

What are the key properties of 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole?

2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole has a molecular weight of 1913.30 g/mol, XLogP of 35.09, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-anthracen-9-yl-5-pyridin-3-ylphenyl)-1-phenylbenzimidazole;2-(3-isoquinolin-4-yl-5-naphthalen-1-ylphenyl)-1,3-benzoxazole;2-(6-isoquinolin-4-yl-4-naphthalen-1-yl-2-pyridinyl)-1,3-benzoxazole;2-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 157157283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).