9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine

C54H38N4 — CID 90061420

IUPAC9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2c(N(c3ccccc3)c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-5-20-39(21-6-1)55(40-22-7-2-8-23-40)43-36-37-51-47(38-43)46-30-15-18-33-50(46)58(51)54-52(56(41-24-9-3-10-25-41)42-26-11-4-12-27-42)34-19-35-53(54)57-48-31-16-13-28-44(48)45-29-14-17-32-49(45)57/h1-38H
InChIKeySCFPBWAXTCEOEP-UHFFFAOYSA-N
MW742.93 g/mol
LogP14.82
Rot. Bonds8

About 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine

9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 90061420) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID90061420
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2c(N(c3ccccc3)c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-5-20-39(21-6-1)55(40-22-7-2-8-23-40)43-36-37-51-47(38-43)46-30-15-18-33-50(46)58(51)54-52(56(41-24-9-3-10-25-41)42-26-11-4-12-27-42)34-19-35-53(54)57-48-31-16-13-28-44(48)45-29-14-17-32-49(45)57/h1-38H
InChIKeySCFPBWAXTCEOEP-UHFFFAOYSA-N
XLogP14.82
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
2-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
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
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine (CID 90061420) is 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2c(N(c3ccccc3)c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is SCFPBWAXTCEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-5-20-39(21-6-1)55(40-22-7-2-8-23-40)43-36-37-51-47(38-43)46-30-15-18-33-50(46)58(51)54-52(56(41-24-9-3-10-25-41)42-26-11-4-12-27-42)34-19-35-53(54)57-48-31-16-13-28-44(48)45-29-14-17-32-49(45)57/h1-38H.
What are the key properties of 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 742.93 g/mol, XLogP of 14.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 90061420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).