3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole

C58H36N2 — CID 146368758

About 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole

3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole (PubChem CID 146368758) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
• PubChem CID: 146368758
• Molecular Formula: C58H36N2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.29
• IUPAC Name: 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
• SMILES: c1ccc2cc(-c3cc4ccccc4cc3-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7ccccc76)c5)ccc43)ccc2c1
• InChI: InChI=1S/C58H36N2/c1-2-13-39-31-44(23-21-37(39)11-1)51-33-40-14-3-4-15-41(40)36-58(51)60-55-20-10-8-18-50(55)53-35-43(26-30-57(53)60)42-25-29-56-52(34-42)49-17-7-9-19-54(49)59(56)46-27-28-48-45(32-46)24-22-38-12-5-6-16-47(38)48/h1-36H
• InChIKey: WZNLMKAWZKXRRO-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

The IUPAC name of 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole (CID 146368758) is 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole.

What is the SMILES notation for 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

The canonical SMILES for 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole is c1ccc2cc(-c3cc4ccccc4cc3-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7ccccc76)c5)ccc43)ccc2c1.

What is the InChIKey of 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

The InChIKey is WZNLMKAWZKXRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-2-13-39-31-44(23-21-37(39)11-1)51-33-40-14-3-4-15-41(40)36-58(51)60-55-20-10-8-18-50(55)53-35-43(26-30-57(53)60)42-25-29-56-52(34-42)49-17-7-9-19-54(49)59(56)46-27-28-48-45(32-46)24-22-38-12-5-6-16-47(38)48/h1-36H.

What are the key properties of 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole?

3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole has a molecular weight of 760.94 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole is sourced from PubChem (CID 146368758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).