3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole

C57H36N2 — CID 138600048

About 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole

3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 138600048) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 138600048
• Molecular Formula: C57H36N2
• Molecular Weight: 748.93 g/mol
• Exact Mass: 748.29
• IUPAC Name: 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)c5c4c3)c2)cc1
• InChI: InChI=1S/C57H36N2/c1-3-14-37(15-4-1)43-35-53(39-17-5-2-6-18-39)58-54(36-43)42-27-30-48-46-20-9-10-21-47(46)50-24-13-23-45(57(50)52(48)34-42)41-28-31-56-51(33-41)49-22-11-12-25-55(49)59(56)44-29-26-38-16-7-8-19-40(38)32-44/h1-36H
• InChIKey: IHMPJICWDOLGEX-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.93
LogP ≤ 5	15.46
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-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole (CID 138600048) is 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole.

What is the SMILES notation for 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The canonical SMILES for 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)c5c4c3)c2)cc1.

What is the InChIKey of 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

The InChIKey is IHMPJICWDOLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-3-14-37(15-4-1)43-35-53(39-17-5-2-6-18-39)58-54(36-43)42-27-30-48-46-20-9-10-21-47(46)50-24-13-23-45(57(50)52(48)34-42)41-28-31-56-51(33-41)49-22-11-12-25-55(49)59(56)44-29-26-38-16-7-8-19-40(38)32-44/h1-36H.

What are the key properties of 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole?

3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 748.93 g/mol, XLogP of 15.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 138600048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).