9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole

C55H38N2 — CID 144976799

About 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole

9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole (PubChem CID 144976799) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
• PubChem CID: 144976799
• Molecular Formula: C55H38N2
• Molecular Weight: 726.92 g/mol
• Exact Mass: 726.30
• IUPAC Name: 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
• SMILES: C1=Cc2c(n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c3ccc(-c4ccc5c(c4)cc(-c4ccccc4)c4ccccc45)cc23)CC1
• InChI: InChI=1S/C55H38N2/c1-4-14-37(15-5-1)43-35-52(39-18-8-3-9-19-39)56-53(36-43)40-24-28-45(29-25-40)57-54-23-13-12-22-49(54)51-33-42(27-31-55(51)57)41-26-30-46-44(32-41)34-50(38-16-6-2-7-17-38)48-21-11-10-20-47(46)48/h1-12,14-22,24-36H,13,23H2
• InChIKey: DAYDOXXSIXMOKV-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.92
LogP ≤ 5	14.63
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-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole?

The IUPAC name of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole (CID 144976799) is 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole.

What is the SMILES notation for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole?

The canonical SMILES for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c3ccc(-c4ccc5c(c4)cc(-c4ccccc4)c4ccccc45)cc23)CC1.

What is the InChIKey of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole?

The InChIKey is DAYDOXXSIXMOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-14-37(15-5-1)43-35-52(39-18-8-3-9-19-39)56-53(36-43)40-24-28-45(29-25-40)57-54-23-13-12-22-49(54)51-33-42(27-31-55(51)57)41-26-30-46-44(32-41)34-50(38-16-6-2-7-17-38)48-21-11-10-20-47(46)48/h1-12,14-22,24-36H,13,23H2.

What are the key properties of 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole?

9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole has a molecular weight of 726.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole is sourced from PubChem (CID 144976799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).