2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline

C54H37N3 — CID 166135032

IUPAC2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2N(c2ccccc2)c2c(-c3ccccc3)cccc2-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C54H37N3/c1-4-18-36(19-5-1)39-26-14-32-47(45-30-16-28-43-41-24-10-12-34-49(41)55-51(43)45)53(39)57(38-22-8-3-9-23-38)54-40(37-20-6-2-7-21-37)27-15-33-48(54)46-31-17-29-44-42-25-11-13-35-50(42)56-52(44)46/h1-35,55-56H
InChIKeyZIBAJRNTDPNSLM-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.09
Rot. Bonds7

About 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline

2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline (PubChem CID 166135032) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
PubChem CID166135032
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2N(c2ccccc2)c2c(-c3ccccc3)cccc2-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C54H37N3/c1-4-18-36(19-5-1)39-26-14-32-47(45-30-16-28-43-41-24-10-12-34-49(41)55-51(43)45)53(39)57(38-22-8-3-9-23-38)54-40(37-20-6-2-7-21-37)27-15-33-48(54)46-31-17-29-44-42-25-11-13-35-50(42)56-52(44)46/h1-35,55-56H
InChIKeyZIBAJRNTDPNSLM-UHFFFAOYSA-N
XLogP15.09
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline 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

3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 166134940
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
diphenylphosphane;1-phenyl-9H-carbazole
CID 158040187
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
CID 166133960
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
6-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697017
N,N-diphenyl-2-(2-phenyl-9H-carbazol-1-yl)phenanthren-1-amine
CID 166133424

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline?
The IUPAC name of 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline (CID 166135032) is 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline?
The canonical SMILES for 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline is c1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2N(c2ccccc2)c2c(-c3ccccc3)cccc2-c2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline?
The InChIKey is ZIBAJRNTDPNSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-18-36(19-5-1)39-26-14-32-47(45-30-16-28-43-41-24-10-12-34-49(41)55-51(43)45)53(39)57(38-22-8-3-9-23-38)54-40(37-20-6-2-7-21-37)27-15-33-48(54)46-31-17-29-44-42-25-11-13-35-50(42)56-52(44)46/h1-35,55-56H.
What are the key properties of 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline?
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline has a molecular weight of 727.91 g/mol, XLogP of 15.09, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline is sourced from PubChem (CID 166135032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).