9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole

C62H40N2 — CID 155333092

About 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole

9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole (PubChem CID 155333092) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
• PubChem CID: 155333092
• Molecular Formula: C62H40N2
• Molecular Weight: 813.02 g/mol
• Exact Mass: 812.32
• IUPAC Name: 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c2)cc1
• InChI: InChI=1S/C62H40N2/c1-4-17-41(18-5-1)42-19-14-20-45(37-42)62-52-29-15-27-48(43-33-35-60-56(38-43)50-25-10-12-31-58(50)63(60)46-21-6-2-7-22-46)54(52)40-55-49(28-16-30-53(55)62)44-34-36-61-57(39-44)51-26-11-13-32-59(51)64(61)47-23-8-3-9-24-47/h1-40H
• InChIKey: WNCDQQZOHIROMC-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.02
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?

The IUPAC name of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole (CID 155333092) is 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole is c1ccc(-c2cccc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c2)cc1.

What is the InChIKey of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?

The InChIKey is WNCDQQZOHIROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-4-17-41(18-5-1)42-19-14-20-45(37-42)62-52-29-15-27-48(43-33-35-60-56(38-43)50-25-10-12-31-58(50)63(60)46-21-6-2-7-22-46)54(52)40-55-49(28-16-30-53(55)62)44-34-36-61-57(39-44)51-26-11-13-32-59(51)64(61)47-23-8-3-9-24-47/h1-40H.

What are the key properties of 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole?

9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole has a molecular weight of 813.02 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).