[3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone

C₆₃H₃₉N₃O₃ — CID 121420371

About [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone

[3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone (PubChem CID 121420371) has the molecular formula C₆₃H₃₉N₃O₃ and a molecular weight of 886.02 g/mol. Its IUPAC name is [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone.

Molecular Properties

• Compound Name: [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone
• PubChem CID: 121420371
• Molecular Formula: C₆₃H₃₉N₃O₃
• Molecular Weight: 886.02 g/mol
• Exact Mass: 885.30
• IUPAC Name: [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone
• SMILES: O=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
• InChI: InChI=1S/C63H39N3O3/c67-61(40-25-31-46(32-26-40)64-55-19-7-1-13-49(55)50-14-2-8-20-56(50)64)43-37-44(62(68)41-27-33-47(34-28-41)65-57-21-9-3-15-51(57)52-16-4-10-22-58(52)65)39-45(38-43)63(69)42-29-35-48(36-30-42)66-59-23-11-5-17-53(59)54-18-6-12-24-60(54)66/h1-39H
• InChIKey: HYDOJABKIQTHLF-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 66.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.02
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone?

The IUPAC name of [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone (CID 121420371) is [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone.

What is the SMILES notation for [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone?

The canonical SMILES for [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone is O=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.

What is the InChIKey of [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone?

The InChIKey is HYDOJABKIQTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3O3/c67-61(40-25-31-46(32-26-40)64-55-19-7-1-13-49(55)50-14-2-8-20-56(50)64)43-37-44(62(68)41-27-33-47(34-28-41)65-57-21-9-3-15-51(57)52-16-4-10-22-58(52)65)39-45(38-43)63(69)42-29-35-48(36-30-42)66-59-23-11-5-17-53(59)54-18-6-12-24-60(54)66/h1-39H.

What are the key properties of [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone?

[3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone has a molecular weight of 886.02 g/mol, XLogP of 14.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone is sourced from PubChem (CID 121420371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121420371 — identifiers, structure, computed properties (public domain)

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