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

C63H39N3O3 — CID 121420371

IUPAC[3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=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
InChIKeyHYDOJABKIQTHLF-UHFFFAOYSA-N
MW886.02 g/mol
LogP14.67
Rot. Bonds9

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 CID121420371
Molecular FormulaC63H39N3O3
Molecular Weight886.02 g/mol
Exact Mass885.30
IUPAC Name[3,5-bis(4-carbazol-9-ylbenzoyl)phenyl]-(4-carbazol-9-ylphenyl)methanone
SMILESO=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=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
InChIKeyHYDOJABKIQTHLF-UHFFFAOYSA-N
XLogP14.67
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.02
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).