6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine

C79H56N4 — CID 163787508

IUPAC6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCc1cc(-c2cccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C79H56N4/c1-55-48-63(51-71(49-55)81(68-41-36-59(37-42-68)57-22-9-3-10-23-57)70-44-46-78-74(53-70)72-32-17-18-33-76(72)82(78)65-28-13-5-14-29-65)61-25-19-24-60(50-61)62-38-45-77-73(52-62)75-54-69(43-47-79(75)83(77)66-30-15-6-16-31-66)80(64-26-11-4-12-27-64)67-39-34-58(35-40-67)56-20-7-2-8-21-56/h2-54H,1H3
InChIKeyMTUZAPNYAULSEV-UHFFFAOYSA-N
MW1061.35 g/mol
LogP21.80
Rot. Bonds12

About 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine

6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 163787508) has the molecular formula C79H56N4 and a molecular weight of 1061.35 g/mol. Its IUPAC name is 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID163787508
Molecular FormulaC79H56N4
Molecular Weight1061.35 g/mol
Exact Mass1060.45
IUPAC Name6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESCc1cc(-c2cccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C79H56N4/c1-55-48-63(51-71(49-55)81(68-41-36-59(37-42-68)57-22-9-3-10-23-57)70-44-46-78-74(53-70)72-32-17-18-33-76(72)82(78)65-28-13-5-14-29-65)61-25-19-24-60(50-61)62-38-45-77-73(52-62)75-54-69(43-47-79(75)83(77)66-30-15-6-16-31-66)80(64-26-11-4-12-27-64)67-39-34-58(35-40-67)56-20-7-2-8-21-56/h2-54H,1H3
InChIKeyMTUZAPNYAULSEV-UHFFFAOYSA-N
XLogP21.80
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.35
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-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-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-dimethylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3,5-dimethyl-N-phenylaniline;9-(3,5-dimethylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-[3-(3,5-dimethylphenyl)phenyl]-5-phenylphenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160931432
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59501694
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 163787508) is 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine is Cc1cc(-c2cccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is MTUZAPNYAULSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N4/c1-55-48-63(51-71(49-55)81(68-41-36-59(37-42-68)57-22-9-3-10-23-57)70-44-46-78-74(53-70)72-32-17-18-33-76(72)82(78)65-28-13-5-14-29-65)61-25-19-24-60(50-61)62-38-45-77-73(52-62)75-54-69(43-47-79(75)83(77)66-30-15-6-16-31-66)80(64-26-11-4-12-27-64)67-39-34-58(35-40-67)56-20-7-2-8-21-56/h2-54H,1H3.
What are the key properties of 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine?
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 1061.35 g/mol, XLogP of 21.80, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 163787508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).