N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline

C42H28N2O — CID 134275427

IUPACN,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)33-26-24-29(25-27-33)36-28-37-34-20-10-12-22-38(34)44(32-18-8-3-9-19-32)41(37)42-40(36)35-21-11-13-23-39(35)45-42/h1-28H
InChIKeyXUKPDFNGPSWCGD-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.82
Rot. Bonds5

About N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline

N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline (PubChem CID 134275427) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
PubChem CID134275427
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC NameN,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)33-26-24-29(25-27-33)36-28-37-34-20-10-12-22-38(34)44(32-18-8-3-9-19-32)41(37)42-40(36)35-21-11-13-23-39(35)45-42/h1-28H
InChIKeyXUKPDFNGPSWCGD-UHFFFAOYSA-N
XLogP11.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline 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-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
CID 134275326
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
CID 172524299
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
CID 134275324
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline (CID 134275427) is N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline?
The InChIKey is XUKPDFNGPSWCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)33-26-24-29(25-27-33)36-28-37-34-20-10-12-22-38(34)44(32-18-8-3-9-19-32)41(37)42-40(36)35-21-11-13-23-39(35)45-42/h1-28H.
What are the key properties of N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline?
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline has a molecular weight of 576.70 g/mol, XLogP of 11.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline is sourced from PubChem (CID 134275427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).