4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline

C138H87N15 — CID 159789191

About 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline

4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline (PubChem CID 159789191) has the molecular formula C138H87N15 and a molecular weight of 1955.32 g/mol. Its IUPAC name is 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline.

Molecular Properties

• Compound Name: 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline
• PubChem CID: 159789191
• Molecular Formula: C138H87N15
• Molecular Weight: 1955.32 g/mol
• Exact Mass: 1953.73
• IUPAC Name: 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5nn(-c6ccc(-c7cccnc7)cc6)nc5c4)ccc32)cc1.c1cncc(-c2ccc(-n3nc4cc(-c5ccc6c(ccc7ccccc76)c5)cc(-c5ccc6c(ccc7ccccc76)c5)c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4ccc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)cc4n3)cc2)c1
• InChI: InChI=1S/C53H34N6.C45H28N4.C40H25N5/c1-3-13-40(14-4-1)57-49-19-9-7-17-43(49)46-30-36(23-27-51(46)57)39-32-45(53-48(33-39)55-59(56-53)42-25-21-35(22-26-42)38-12-11-29-54-34-38)37-24-28-52-47(31-37)44-18-8-10-20-50(44)58(52)41-15-5-2-6-16-41;1-3-9-39-30(6-1)11-13-33-24-32(17-21-41(33)39)37-26-43(35-18-22-42-34(25-35)14-12-31-7-2-4-10-40(31)42)45-44(27-37)47-49(48-45)38-19-15-29(16-20-38)36-8-5-23-46-28-36;1-6-14-36-27(8-1)22-30(25-42-36)40-34-12-4-2-10-32(34)39(33-11-3-5-13-35(33)40)28-17-20-37-38(23-28)44-45(43-37)31-18-15-26(16-19-31)29-9-7-21-41-24-29/h1-34H;1-28H;1-25H
• InChIKey: NIILEDOKYHVROU-UHFFFAOYSA-N
• XLogP: 34.11
• TPSA: 153.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1955.32
LogP ≤ 5	34.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline?

The IUPAC name of 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline (CID 159789191) is 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline.

What is the SMILES notation for 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline?

The canonical SMILES for 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5nn(-c6ccc(-c7cccnc7)cc6)nc5c4)ccc32)cc1.c1cncc(-c2ccc(-n3nc4cc(-c5ccc6c(ccc7ccccc76)c5)cc(-c5ccc6c(ccc7ccccc76)c5)c4n3)cc2)c1.c1cncc(-c2ccc(-n3nc4ccc(-c5c6ccccc6c(-c6cnc7ccccc7c6)c6ccccc56)cc4n3)cc2)c1.

What is the InChIKey of 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline?

The InChIKey is NIILEDOKYHVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N6.C45H28N4.C40H25N5/c1-3-13-40(14-4-1)57-49-19-9-7-17-43(49)46-30-36(23-27-51(46)57)39-32-45(53-48(33-39)55-59(56-53)42-25-21-35(22-26-42)38-12-11-29-54-34-38)37-24-28-52-47(31-37)44-18-8-10-20-50(44)58(52)41-15-5-2-6-16-41;1-3-9-39-30(6-1)11-13-33-24-32(17-21-41(33)39)37-26-43(35-18-22-42-34(25-35)14-12-31-7-2-4-10-40(31)42)45-44(27-37)47-49(48-45)38-19-15-29(16-20-38)36-8-5-23-46-28-36;1-6-14-36-27(8-1)22-30(25-42-36)40-34-12-4-2-10-32(34)39(33-11-3-5-13-35(33)40)28-17-20-37-38(23-28)44-45(43-37)31-18-15-26(16-19-31)29-9-7-21-41-24-29/h1-34H;1-28H;1-25H.

What are the key properties of 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline?

4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline has a molecular weight of 1955.32 g/mol, XLogP of 34.11, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-di(phenanthren-2-yl)-2-(4-pyridin-3-ylphenyl)benzotriazole;9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-(4-pyridin-3-ylphenyl)benzotriazol-4-yl]carbazole;3-[10-[2-(4-pyridin-3-ylphenyl)benzotriazol-5-yl]anthracen-9-yl]quinoline is sourced from PubChem (CID 159789191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).