9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

C66H42N2 — CID 155333072

About 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (PubChem CID 155333072) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• PubChem CID: 155333072
• Molecular Formula: C66H42N2
• Molecular Weight: 863.08 g/mol
• Exact Mass: 862.33
• IUPAC Name: 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4cc4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc34)cc3ccccc23)cc1
• InChI: InChI=1S/C66H42N2/c1-4-20-43(21-5-1)59-41-45(40-44-22-10-11-27-48(44)59)64-53-32-16-30-49(55-34-18-36-57-51-28-12-14-38-62(51)67(65(55)57)46-23-6-2-7-24-46)60(53)42-61-50(31-17-33-54(61)64)56-35-19-37-58-52-29-13-15-39-63(52)68(66(56)58)47-25-8-3-9-26-47/h1-42H
• InChIKey: YKUDVOGLIUVEAA-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.08
LogP ≤ 5	18.01
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-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The IUPAC name of 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (CID 155333072) is 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

What is the SMILES notation for 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The canonical SMILES for 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is c1ccc(-c2cc(-c3c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4cc4c(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cccc34)cc3ccccc23)cc1.

What is the InChIKey of 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

The InChIKey is YKUDVOGLIUVEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-4-20-43(21-5-1)59-41-45(40-44-22-10-11-27-48(44)59)64-53-32-16-30-49(55-34-18-36-57-51-28-12-14-38-62(51)67(65(55)57)46-23-6-2-7-24-46)60(53)42-61-50(31-17-33-54(61)64)56-35-19-37-58-52-29-13-15-39-63(52)68(66(56)58)47-25-8-3-9-26-47/h1-42H.

What are the key properties of 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?

9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole has a molecular weight of 863.08 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).