3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine

C138H88N6 — CID 158905185

About 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine

3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine (PubChem CID 158905185) has the molecular formula C138H88N6 and a molecular weight of 1830.26 g/mol. Its IUPAC name is 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
• PubChem CID: 158905185
• Molecular Formula: C138H88N6
• Molecular Weight: 1830.26 g/mol
• Exact Mass: 1828.71
• IUPAC Name: 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)nc1.c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cnc7ccccc7c6)nc5)ccc34)ccc2c1
• InChI: InChI=1S/C48H30N2.C46H30N2.C44H28N2/c1-3-11-33-25-37(19-17-31(33)9-1)47-41-14-6-7-15-42(41)48(38-20-18-32-10-2-4-12-34(32)26-38)44-28-35(21-23-43(44)47)39-22-24-46(49-29-39)40-27-36-13-5-8-16-45(36)50-30-40;1-2-12-37-31(10-1)11-9-15-38(37)36-26-27-41-42(30-36)46(35-24-20-33(21-25-35)44-17-6-8-29-48-44)40-14-4-3-13-39(40)45(41)34-22-18-32(19-23-34)43-16-5-7-28-47-43;1-2-12-29(13-3-1)30-22-24-31(25-23-30)44-45-42(40-26-32-14-4-6-16-34(32)36-18-8-10-20-38(36)40)28-43(46-44)41-27-33-15-5-7-17-35(33)37-19-9-11-21-39(37)41/h1-30H;1-30H;1-28H
• InChIKey: JFYMHBZWAPKBAV-UHFFFAOYSA-N
• XLogP: 36.94
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.26
LogP ≤ 5	36.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?

The IUPAC name of 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine (CID 158905185) is 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine.

What is the SMILES notation for 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?

The canonical SMILES for 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)nc1.c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cnc7ccccc7c6)nc5)ccc34)ccc2c1.

What is the InChIKey of 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?

The InChIKey is JFYMHBZWAPKBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2.C46H30N2.C44H28N2/c1-3-11-33-25-37(19-17-31(33)9-1)47-41-14-6-7-15-42(41)48(38-20-18-32-10-2-4-12-34(32)26-38)44-28-35(21-23-43(44)47)39-22-24-46(49-29-39)40-27-36-13-5-8-16-45(36)50-30-40;1-2-12-37-31(10-1)11-9-15-38(37)36-26-27-41-42(30-36)46(35-24-20-33(21-25-35)44-17-6-8-29-48-44)40-14-4-3-13-39(40)45(41)34-22-18-32(19-23-34)43-16-5-7-28-47-43;1-2-12-29(13-3-1)30-22-24-31(25-23-30)44-45-42(40-26-32-14-4-6-16-34(32)36-18-8-10-20-38(36)40)28-43(46-44)41-27-33-15-5-7-17-35(33)37-19-9-11-21-39(37)41/h1-30H;1-30H;1-28H.

What are the key properties of 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine?

3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 1830.26 g/mol, XLogP of 36.94, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 158905185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).