4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

C57H42N2O — CID 176609660

IUPAC4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)c2cc(C)c(-c3ccccc3)cc2C)ccc1-c1ccccc1
InChIInChI=1S/C57H42N2O/c1-37-31-44(29-30-46(37)40-17-6-4-7-18-40)58(55-33-38(2)50(32-39(55)3)41-19-8-5-9-20-41)45-35-51(57-52(36-45)49-25-12-15-28-56(49)60-57)42-21-16-22-43(34-42)59-53-26-13-10-23-47(53)48-24-11-14-27-54(48)59/h4-36H,1-3H3
InChIKeyXQYMPUVBLBBSIT-UHFFFAOYSA-N
MW770.98 g/mol
LogP16.08
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine

4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176609660) has the molecular formula C57H42N2O and a molecular weight of 770.98 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176609660
Molecular FormulaC57H42N2O
Molecular Weight770.98 g/mol
Exact Mass770.33
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
SMILESCc1cc(N(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)c2cc(C)c(-c3ccccc3)cc2C)ccc1-c1ccccc1
InChIInChI=1S/C57H42N2O/c1-37-31-44(29-30-46(37)40-17-6-4-7-18-40)58(55-33-38(2)50(32-39(55)3)41-19-8-5-9-20-41)45-35-51(57-52(36-45)49-25-12-15-28-56(49)60-57)42-21-16-22-43(34-42)59-53-26-13-10-23-47(53)48-24-11-14-27-54(48)59/h4-36H,1-3H3
InChIKeyXQYMPUVBLBBSIT-UHFFFAOYSA-N
XLogP16.08
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176607810
4-(2-carbazol-9-ylphenyl)-N,N-bis(3-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608574
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176608653
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 176609649
4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
CID 176609757
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176608559
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4,5-diphenylphenyl)-N-(4-methylphenyl)dibenzofuran-2-amine
CID 176609116
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609549
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine (CID 176609660) is 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is Cc1cc(N(c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3oc4ccccc4c3c2)c2cc(C)c(-c3ccccc3)cc2C)ccc1-c1ccccc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XQYMPUVBLBBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2O/c1-37-31-44(29-30-46(37)40-17-6-4-7-18-40)58(55-33-38(2)50(32-39(55)3)41-19-8-5-9-20-41)45-35-51(57-52(36-45)49-25-12-15-28-56(49)60-57)42-21-16-22-43(34-42)59-53-26-13-10-23-47(53)48-24-11-14-27-54(48)59/h4-36H,1-3H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine?
4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 770.98 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176609660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).