4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole

C118H79N13 — CID 159612915

About 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole

4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole (PubChem CID 159612915) has the molecular formula C118H79N13 and a molecular weight of 1679.02 g/mol. Its IUPAC name is 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole.

Molecular Properties

• Compound Name: 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
• PubChem CID: 159612915
• Molecular Formula: C118H79N13
• Molecular Weight: 1679.02 g/mol
• Exact Mass: 1677.66
• IUPAC Name: 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5cccc(-c6ccccn6)n5)nc4c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4nn(-c5ccncc5)nc4c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nn(-c5ccncc5)nc4c3)cc2)cc1
• InChI: InChI=1S/C47H32N4.C36H23N5.C35H24N4/c1-5-13-33(14-6-1)37-25-38(34-15-7-2-8-16-34)28-41(27-37)42-31-45(47-46(32-42)49-51(50-47)44-21-23-48-24-22-44)43-29-39(35-17-9-3-10-18-35)26-40(30-43)36-19-11-4-12-20-36;1-2-11-24(12-3-1)35-26-13-4-6-15-28(26)36(29-16-7-5-14-27(29)35)25-20-21-32-33(23-25)40-41(39-32)34-19-10-18-31(38-34)30-17-8-9-22-37-30;1-3-7-25(8-4-1)27-11-13-29(14-12-27)31-23-33(30-17-15-28(16-18-30)26-9-5-2-6-10-26)35-34(24-31)37-39(38-35)32-19-21-36-22-20-32/h1-32H;1-23H;1-24H
• InChIKey: MMXVFFRQLDVITG-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 143.69 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.02
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole?

The IUPAC name of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole (CID 159612915) is 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole.

What is the SMILES notation for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole?

The canonical SMILES for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole is c1ccc(-c2c3ccccc3c(-c3ccc4nn(-c5cccc(-c6ccccn6)n5)nc4c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4nn(-c5ccncc5)nc4c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4nn(-c5ccncc5)nc4c3)cc2)cc1.

What is the InChIKey of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole?

The InChIKey is MMXVFFRQLDVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4.C36H23N5.C35H24N4/c1-5-13-33(14-6-1)37-25-38(34-15-7-2-8-16-34)28-41(27-37)42-31-45(47-46(32-42)49-51(50-47)44-21-23-48-24-22-44)43-29-39(35-17-9-3-10-18-35)26-40(30-43)36-19-11-4-12-20-36;1-2-11-24(12-3-1)35-26-13-4-6-15-28(26)36(29-16-7-5-14-27(29)35)25-20-21-32-33(23-25)40-41(39-32)34-19-10-18-31(38-34)30-17-8-9-22-37-30;1-3-7-25(8-4-1)27-11-13-29(14-12-27)31-23-33(30-17-15-28(16-18-30)26-9-5-2-6-10-26)35-34(24-31)37-39(38-35)32-19-21-36-22-20-32/h1-32H;1-23H;1-24H.

What are the key properties of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole?

4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole has a molecular weight of 1679.02 g/mol, XLogP of 28.82, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-4-ylbenzotriazole;4,6-bis(4-phenylphenyl)-2-pyridin-4-ylbenzotriazole;5-(10-phenylanthracen-9-yl)-2-(6-pyridin-2-yl-2-pyridinyl)benzotriazole is sourced from PubChem (CID 159612915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).