12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

C128H83N — CID 161280672

About 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 161280672) has the molecular formula C128H83N and a molecular weight of 1635.08 g/mol. Its IUPAC name is 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 161280672
• Molecular Formula: C128H83N
• Molecular Weight: 1635.08 g/mol
• Exact Mass: 1633.65
• IUPAC Name: 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5c4ccc4ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C50H32.C42H27N.C36H24/c1-2-13-40-32-41(29-22-33(40)10-1)34-20-25-38(26-21-34)48-45-17-7-8-18-46(45)49(50-44-16-6-4-12-36(44)30-31-47(48)50)39-27-23-37(24-28-39)43-19-9-14-35-11-3-5-15-42(35)43;1-2-13-29(14-3-1)41-36-19-7-6-18-35(36)40(37-27-24-28-12-4-5-15-32(28)42(37)41)30-22-25-31(26-23-30)43-38-20-10-8-16-33(38)34-17-9-11-21-39(34)43;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-32H;1-27H;1-24H
• InChIKey: VFARHYNZFNMUJS-UHFFFAOYSA-N
• XLogP: 35.85
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1635.08
LogP ≤ 5	35.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 161280672) is 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5c4ccc4ccccc45)cc3)ccc2c1.

What is the InChIKey of 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is VFARHYNZFNMUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C42H27N.C36H24/c1-2-13-40-32-41(29-22-33(40)10-1)34-20-25-38(26-21-34)48-45-17-7-8-18-46(45)49(50-44-16-6-4-12-36(44)30-31-47(48)50)39-27-23-37(24-28-39)43-19-9-14-35-11-3-5-15-42(35)43;1-2-13-29(14-3-1)41-36-19-7-6-18-35(36)40(37-27-24-28-12-4-5-15-32(28)42(37)41)30-22-25-31(26-23-30)43-38-20-10-8-16-33(38)34-17-9-11-21-39(34)43;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-32H;1-27H;1-24H.

What are the key properties of 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 1635.08 g/mol, XLogP of 35.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4-naphthalen-1-ylphenyl)-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene;9-[4-(12-phenylbenzo[a]anthracen-7-yl)phenyl]carbazole;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 161280672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).