4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole

C54H34N2O — CID 129225640

IUPAC4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-35(15-4-1)37-30-38(32-39(31-37)42-21-13-24-50-54(42)46-20-8-11-23-49(46)55(50)40-16-5-2-6-17-40)36-26-28-44-43-18-7-10-22-48(43)56(51(44)33-36)41-27-29-53-47(34-41)45-19-9-12-25-52(45)57-53/h1-34H
InChIKeyDVZHDLRLUXFZGI-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole

4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole (PubChem CID 129225640) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
PubChem CID129225640
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-14-35(15-4-1)37-30-38(32-39(31-37)42-21-13-24-50-54(42)46-20-8-11-23-49(46)55(50)40-16-5-2-6-17-40)36-26-28-44-43-18-7-10-22-48(43)56(51(44)33-36)41-27-29-53-47(34-41)45-19-9-12-25-52(45)57-53/h1-34H
InChIKeyDVZHDLRLUXFZGI-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole 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 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole?
The IUPAC name of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole (CID 129225640) is 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole?
The InChIKey is DVZHDLRLUXFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-14-35(15-4-1)37-30-38(32-39(31-37)42-21-13-24-50-54(42)46-20-8-11-23-49(46)55(50)40-16-5-2-6-17-40)36-26-28-44-43-18-7-10-22-48(43)56(51(44)33-36)41-27-29-53-47(34-41)45-19-9-12-25-52(45)57-53/h1-34H.
What are the key properties of 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole?
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 129225640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).