2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine

C56H38N2 — CID 145327805

About 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine

2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine (PubChem CID 145327805) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine.

Molecular Properties

• Compound Name: 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine
• PubChem CID: 145327805
• Molecular Formula: C56H38N2
• Molecular Weight: 738.93 g/mol
• Exact Mass: 738.30
• IUPAC Name: 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7n6)c5)ccc3n4-c3ccccc3)c21
• InChI: InChI=1S/C56H38N2/c1-56(2)50-25-11-10-21-44(50)45-24-13-23-40(54(45)56)37-27-31-53-49(34-37)48-33-36(26-30-52(48)58(53)39-16-4-3-5-17-39)35-14-12-15-38(32-35)51-29-28-47-43-20-7-6-18-41(43)42-19-8-9-22-46(42)55(47)57-51/h3-34H,1-2H3
• InChIKey: ALFJSAXEYKIVMH-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.93
LogP ≤ 5	14.95
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 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine?

The IUPAC name of 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine (CID 145327805) is 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine.

What is the SMILES notation for 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine?

The canonical SMILES for 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine is CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7n6)c5)ccc3n4-c3ccccc3)c21.

What is the InChIKey of 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine?

The InChIKey is ALFJSAXEYKIVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-56(2)50-25-11-10-21-44(50)45-24-13-23-40(54(45)56)37-27-31-53-49(34-37)48-33-36(26-30-52(48)58(53)39-16-4-3-5-17-39)35-14-12-15-38(32-35)51-29-28-47-43-20-7-6-18-41(43)42-19-8-9-22-46(42)55(47)57-51/h3-34H,1-2H3.

What are the key properties of 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine?

2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine has a molecular weight of 738.93 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-3-yl]phenyl]phenanthro[9,10-b]pyridine is sourced from PubChem (CID 145327805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).