3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline

C45H29N3O — CID 170177363

IUPAC3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3nccc4c3oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C45H29N3O/c1-2-13-33(14-3-1)47(34-23-21-30(22-24-34)44-45-39(25-26-46-44)38-18-7-9-20-43(38)49-45)35-15-10-16-36(29-35)48-41-19-8-6-17-37(41)40-27-31-11-4-5-12-32(31)28-42(40)48/h1-29H
InChIKeyHXEZGLRANOYWEG-UHFFFAOYSA-N
MW627.75 g/mol
LogP12.37
Rot. Bonds5

About 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline

3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline (PubChem CID 170177363) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline
PubChem CID170177363
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3nccc4c3oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C45H29N3O/c1-2-13-33(14-3-1)47(34-23-21-30(22-24-34)44-45-39(25-26-46-44)38-18-7-9-20-43(38)49-45)35-15-10-16-36(29-35)48-41-19-8-6-17-37(41)40-27-31-11-4-5-12-32(31)28-42(40)48/h1-29H
InChIKeyHXEZGLRANOYWEG-UHFFFAOYSA-N
XLogP12.37
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline 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

N-(3-benzo[b]carbazol-5-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177369
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798261
N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 139571792
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
CID 170177320
N-(3-benzo[c]carbazol-7-ylphenyl)-N-phenyl-[1]benzofuro[2,3-c]pyridin-1-amine
CID 170177421
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653
3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline
CID 170177365
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789400
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073
3-carbazol-9-yl-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146578380

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline (CID 170177363) is 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3nccc4c3oc3ccccc34)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline?
The InChIKey is HXEZGLRANOYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-13-33(14-3-1)47(34-23-21-30(22-24-34)44-45-39(25-26-46-44)38-18-7-9-20-43(38)49-45)35-15-10-16-36(29-35)48-41-19-8-6-17-37(41)40-27-31-11-4-5-12-32(31)28-42(40)48/h1-29H.
What are the key properties of 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline?
3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline has a molecular weight of 627.75 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-N-[4-([1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 170177363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).