9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole

C54H42N2 — CID 134390506

About 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole

9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole (PubChem CID 134390506) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
• PubChem CID: 134390506
• Molecular Formula: C54H42N2
• Molecular Weight: 718.94 g/mol
• Exact Mass: 718.33
• IUPAC Name: 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
• SMILES: C1=Cc2c(n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3c(-c4ccc5c(c4)C4C=CCCC4N5c4ccc(-c5ccccc5)cc4)cccc23)CC1
• InChI: InChI=1S/C54H42N2/c1-4-15-37(16-5-1)40-27-30-44(31-28-40)55-51-25-12-11-22-48(51)50-36-41(29-32-53(50)55)46-23-14-24-49-47-21-10-13-26-52(47)56(54(46)49)45-34-42(38-17-6-2-7-18-38)33-43(35-45)39-19-8-3-9-20-39/h1-11,14-24,27-36,48,51H,12-13,25-26H2
• InChIKey: YWAVRXKFYMGRFR-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.94
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?

The IUPAC name of 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole (CID 134390506) is 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole.

What is the SMILES notation for 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?

The canonical SMILES for 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3c(-c4ccc5c(c4)C4C=CCCC4N5c4ccc(-c5ccccc5)cc4)cccc23)CC1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?

The InChIKey is YWAVRXKFYMGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-4-15-37(16-5-1)40-27-30-44(31-28-40)55-51-25-12-11-22-48(51)50-36-41(29-32-53(50)55)46-23-14-24-49-47-21-10-13-26-52(47)56(54(46)49)45-34-42(38-17-6-2-7-18-38)33-43(35-45)39-19-8-3-9-20-39/h1-11,14-24,27-36,48,51H,12-13,25-26H2.

What are the key properties of 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole?

9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole has a molecular weight of 718.94 g/mol, XLogP of 14.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 134390506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).