9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine

C40H28N4 — CID 155139579

IUPAC9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C40H28N4/c1-4-12-29(13-5-1)31-20-22-34(23-21-31)43(40-41-27-32(28-42-40)30-14-6-2-7-15-30)35-24-25-39-37(26-35)36-18-10-11-19-38(36)44(39)33-16-8-3-9-17-33/h1-28H
InChIKeyKKLMRAYHNJUQEB-UHFFFAOYSA-N
MW564.69 g/mol
LogP10.38
Rot. Bonds6

About 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine

9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine (PubChem CID 155139579) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
PubChem CID155139579
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C40H28N4/c1-4-12-29(13-5-1)31-20-22-34(23-21-31)43(40-41-27-32(28-42-40)30-14-6-2-7-15-30)35-24-25-39-37(26-35)36-18-10-11-19-38(36)44(39)33-16-8-3-9-17-33/h1-28H
InChIKeyKKLMRAYHNJUQEB-UHFFFAOYSA-N
XLogP10.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine 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

N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
CID 157279634
N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 155139580
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
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,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 159873005
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
N-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)pyrimidin-2-amine;12-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;9-phenyl-N-[9-(3-phenylphenyl)carbazol-3-yl]-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 162013324
N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine
CID 158340965
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine (CID 155139579) is 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccccc4)cn3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The InChIKey is KKLMRAYHNJUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-4-12-29(13-5-1)31-20-22-34(23-21-31)43(40-41-27-32(28-42-40)30-14-6-2-7-15-30)35-24-25-39-37(26-35)36-18-10-11-19-38(36)44(39)33-16-8-3-9-17-33/h1-28H.
What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine has a molecular weight of 564.69 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine is sourced from PubChem (CID 155139579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).