N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine

C42H31N3 — CID 146296558

IUPACN,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H31N3/c1-5-15-32(16-6-1)43-33-29-39(42-40(30-33)38-23-13-14-24-41(38)45(42)36-21-11-4-12-22-36)31-25-27-37(28-26-31)44(34-17-7-2-8-18-34)35-19-9-3-10-20-35/h1-30,43H
InChIKeyMSXPAFBVEOBODE-UHFFFAOYSA-N
MW577.73 g/mol
LogP11.66
Rot. Bonds7

About N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine

N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine (PubChem CID 146296558) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
PubChem CID146296558
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC NameN,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
SMILESc1ccc(Nc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H31N3/c1-5-15-32(16-6-1)43-33-29-39(42-40(30-33)38-23-13-14-24-41(38)45(42)36-21-11-4-12-22-36)31-25-27-37(28-26-31)44(34-17-7-2-8-18-34)35-19-9-3-10-20-35/h1-30,43H
InChIKeyMSXPAFBVEOBODE-UHFFFAOYSA-N
XLogP11.66
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 511.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
CID 130279544
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269
1-[4-[4-[4-(3-anilino-9-phenylcarbazol-1-yl)phenyl]-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 172715766
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 164801794
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine (CID 146296558) is N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine is c1ccc(Nc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine?
The InChIKey is MSXPAFBVEOBODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-5-15-32(16-6-1)43-33-29-39(42-40(30-33)38-23-13-14-24-41(38)45(42)36-21-11-4-12-22-36)31-25-27-37(28-26-31)44(34-17-7-2-8-18-34)35-19-9-3-10-20-35/h1-30,43H.
What are the key properties of N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine?
N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine has a molecular weight of 577.73 g/mol, XLogP of 11.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine is sourced from PubChem (CID 146296558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).