9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine

C54H37N3 — CID 118155144

IUPAC9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-34-49-47-20-10-12-22-51(47)57(54(49)37-46)43-18-8-3-9-19-43)45-31-26-40(27-32-45)41-28-35-53-50(36-41)48-21-11-13-23-52(48)56(53)42-16-6-2-7-17-42/h1-37H
InChIKeyVGOSSVGKRWAHFE-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine

9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 118155144) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID118155144
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C54H37N3/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-34-49-47-20-10-12-22-51(47)57(54(49)37-46)43-18-8-3-9-19-43)45-31-26-40(27-32-45)41-28-35-53-50(36-41)48-21-11-13-23-52(48)56(53)42-16-6-2-7-17-42/h1-37H
InChIKeyVGOSSVGKRWAHFE-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine (CID 118155144) is 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is VGOSSVGKRWAHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-34-49-47-20-10-12-22-51(47)57(54(49)37-46)43-18-8-3-9-19-43)45-31-26-40(27-32-45)41-28-35-53-50(36-41)48-21-11-13-23-52(48)56(53)42-16-6-2-7-17-42/h1-37H.
What are the key properties of 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 118155144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).