9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

C67H42N2 — CID 139500855

About 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (PubChem CID 139500855) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
• PubChem CID: 139500855
• Molecular Formula: C67H42N2
• Molecular Weight: 875.09 g/mol
• Exact Mass: 874.33
• IUPAC Name: 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3)nc(-c3cc4ccccc4c4ccccc34)c2)cc1
• InChI: InChI=1S/C67H42N2/c1-3-17-43(18-4-1)46-32-34-61-60-29-15-16-30-66(60)69(67(61)42-46)51-36-48(45-31-33-59-56-26-11-10-24-54(56)55-25-12-13-27-57(55)62(59)38-45)35-50(37-51)64-40-49(44-19-5-2-6-20-44)41-65(68-64)63-39-47-21-7-8-22-52(47)53-23-9-14-28-58(53)63/h1-42H
• InChIKey: IERBDEGBVGPHAJ-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.09
LogP ≤ 5	18.28
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 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?

The IUPAC name of 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (CID 139500855) is 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.

What is the SMILES notation for 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?

The canonical SMILES for 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is c1ccc(-c2cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c3)nc(-c3cc4ccccc4c4ccccc34)c2)cc1.

What is the InChIKey of 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?

The InChIKey is IERBDEGBVGPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-17-43(18-4-1)46-32-34-61-60-29-15-16-30-66(60)69(67(61)42-46)51-36-48(45-31-33-59-56-26-11-10-24-54(56)55-25-12-13-27-57(55)62(59)38-45)35-50(37-51)64-40-49(44-19-5-2-6-20-44)41-65(68-64)63-39-47-21-7-8-22-52(47)53-23-9-14-28-58(53)63/h1-42H.

What are the key properties of 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?

9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole has a molecular weight of 875.09 g/mol, XLogP of 18.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 139500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).