7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole

C53H34N2 — CID 134531040

About 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole

7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole (PubChem CID 134531040) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole
• PubChem CID: 134531040
• Molecular Formula: C53H34N2
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.27
• IUPAC Name: 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5c5c7ccccc7ccc5n6-c5ccccc5)nc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C53H34N2/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)50-42-20-9-11-22-44(42)51(45-23-12-10-21-43(45)50)39-30-32-47(54-34-39)46-24-13-25-48-53(46)52-41-19-8-7-16-37(41)31-33-49(52)55(48)40-17-5-2-6-18-40/h1-34H
• InChIKey: WJUMGIXIOWJRQM-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	14.31
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 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole?

The IUPAC name of 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole (CID 134531040) is 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole.

What is the SMILES notation for 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole?

The canonical SMILES for 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5c5c7ccccc7ccc5n6-c5ccccc5)nc4)c4ccccc34)cc2)cc1.

What is the InChIKey of 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole?

The InChIKey is WJUMGIXIOWJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-3-14-35(15-4-1)36-26-28-38(29-27-36)50-42-20-9-11-22-44(42)51(45-23-12-10-21-43(45)50)39-30-32-47(54-34-39)46-24-13-25-48-53(46)52-41-19-8-7-16-37(41)31-33-49(52)55(48)40-17-5-2-6-18-40/h1-34H.

What are the key properties of 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole?

7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-11-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[c]carbazole is sourced from PubChem (CID 134531040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).