3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine

C66H48N4 — CID 177275846

IUPAC3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4cccc(N(c5ccccc5)c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C66H48N4/c1-7-24-49(25-8-1)60-41-23-42-61(50-26-9-2-10-27-50)66(60)70-64-43-20-19-40-62(64)63-48-59(44-45-65(63)70)69(57-38-21-36-55(46-57)67(51-28-11-3-12-29-51)52-30-13-4-14-31-52)58-39-22-37-56(47-58)68(53-32-15-5-16-33-53)54-34-17-6-18-35-54/h1-48H
InChIKeyIBBGLHDLNPMLBC-UHFFFAOYSA-N
MW897.14 g/mol
LogP18.53
Rot. Bonds12

About 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine

3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (PubChem CID 177275846) has the molecular formula C66H48N4 and a molecular weight of 897.14 g/mol. Its IUPAC name is 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
PubChem CID177275846
Molecular FormulaC66H48N4
Molecular Weight897.14 g/mol
Exact Mass896.39
IUPAC Name3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4cccc(N(c5ccccc5)c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C66H48N4/c1-7-24-49(25-8-1)60-41-23-42-61(50-26-9-2-10-27-50)66(60)70-64-43-20-19-40-62(64)63-48-59(44-45-65(63)70)69(57-38-21-36-55(46-57)67(51-28-11-3-12-29-51)52-30-13-4-14-31-52)58-39-22-37-56(47-58)68(53-32-15-5-16-33-53)54-34-17-6-18-35-54/h1-48H
InChIKeyIBBGLHDLNPMLBC-UHFFFAOYSA-N
XLogP18.53
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.14
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine 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

1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
9-[4-(2,6-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
CID 134236548
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794017
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine (CID 177275846) is 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4cccc(N(c5ccccc5)c5ccccc5)c4)c4cccc(N(c5ccccc5)c5ccccc5)c4)ccc32)cc1.
What is the InChIKey of 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
The InChIKey is IBBGLHDLNPMLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N4/c1-7-24-49(25-8-1)60-41-23-42-61(50-26-9-2-10-27-50)66(60)70-64-43-20-19-40-62(64)63-48-59(44-45-65(63)70)69(57-38-21-36-55(46-57)67(51-28-11-3-12-29-51)52-30-13-4-14-31-52)58-39-22-37-56(47-58)68(53-32-15-5-16-33-53)54-34-17-6-18-35-54/h1-48H.
What are the key properties of 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine?
3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine has a molecular weight of 897.14 g/mol, XLogP of 18.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 177275846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).