6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole

C54H44N2O — CID 146490689

About 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole

6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole (PubChem CID 146490689) has the molecular formula C54H44N2O and a molecular weight of 736.96 g/mol. Its IUPAC name is 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole.

Molecular Properties

• Compound Name: 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole
• PubChem CID: 146490689
• Molecular Formula: C54H44N2O
• Molecular Weight: 736.96 g/mol
• Exact Mass: 736.35
• IUPAC Name: 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole
• SMILES: C1=CC2Oc3c(N4c5ccc(-c6ccc7c(c6)N(c6ccccc6)C6C=CCCC76)cc5C5CCC=CC54)ccc(-c4ccc(-c5ccccc5)cc4)c3C2C=C1
• InChI: InChI=1S/C54H44N2O/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)41-30-32-50(54-53(41)45-19-9-12-22-52(45)57-54)56-48-21-11-8-18-43(48)46-33-38(28-31-49(46)56)39-27-29-44-42-17-7-10-20-47(42)55(51(44)34-39)40-15-5-2-6-16-40/h1-6,9-16,19-34,42-43,45,47-48,52H,7-8,17-18H2
• InChIKey: HTBUEWSINAWHKM-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.96
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole?

The IUPAC name of 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole (CID 146490689) is 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole.

What is the SMILES notation for 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole?

The canonical SMILES for 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole is C1=CC2Oc3c(N4c5ccc(-c6ccc7c(c6)N(c6ccccc6)C6C=CCCC76)cc5C5CCC=CC54)ccc(-c4ccc(-c5ccccc5)cc4)c3C2C=C1.

What is the InChIKey of 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole?

The InChIKey is HTBUEWSINAWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2O/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)41-30-32-50(54-53(41)45-19-9-12-22-52(45)57-54)56-48-21-11-8-18-43(48)46-33-38(28-31-49(46)56)39-27-29-44-42-17-7-10-20-47(42)55(51(44)34-39)40-15-5-2-6-16-40/h1-6,9-16,19-34,42-43,45,47-48,52H,7-8,17-18H2.

What are the key properties of 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole?

6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole has a molecular weight of 736.96 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9-phenyl-4b,5,6,8a-tetrahydrocarbazol-2-yl)-9-[1-(4-phenylphenyl)-5a,9a-dihydrodibenzofuran-4-yl]-3,4,4a,9a-tetrahydrocarbazole is sourced from PubChem (CID 146490689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).