9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine

C42H29N3 — CID 141087826

IUPAC9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1
InChIInChI=1S/C42H29N3/c1-3-12-30(13-4-1)44(31-14-5-2-6-15-31)33-26-27-41-38(28-33)36-17-8-10-21-40(36)45(41)32-24-22-29(23-25-32)34-18-11-19-37-35-16-7-9-20-39(35)43-42(34)37/h1-28,43H
InChIKeyWFRFTSIMZCOAMI-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.56
Rot. Bonds5

About 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 141087826) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID141087826
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1
InChIInChI=1S/C42H29N3/c1-3-12-30(13-4-1)44(31-14-5-2-6-15-31)33-26-27-41-38(28-33)36-17-8-10-21-40(36)45(41)32-24-22-29(23-25-32)34-18-11-19-37-35-16-7-9-20-39(35)43-42(34)37/h1-28,43H
InChIKeyWFRFTSIMZCOAMI-UHFFFAOYSA-N
XLogP11.56
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58510680
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
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
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
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
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-[4-[4-[N-(9H-carbazol-2-yl)anilino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 146233031
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine (CID 141087826) is 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1.
What is the InChIKey of 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is WFRFTSIMZCOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-3-12-30(13-4-1)44(31-14-5-2-6-15-31)33-26-27-41-38(28-33)36-17-8-10-21-40(36)45(41)32-24-22-29(23-25-32)34-18-11-19-37-35-16-7-9-20-39(35)43-42(34)37/h1-28,43H.
What are the key properties of 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 575.72 g/mol, XLogP of 11.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 141087826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).