3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline

C41H28N4 — CID 140680686

IUPAC3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
SMILESc1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1
InChIInChI=1S/C41H28N4/c1-2-13-29(14-3-1)43(30-15-10-17-32(27-30)44-38-23-7-4-19-34(38)35-20-5-8-24-39(35)44)31-16-11-18-33(28-31)45-40-25-9-6-21-36(40)37-22-12-26-42-41(37)45/h1-28H
InChIKeyQOWSIDBUEGQYSH-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.75
Rot. Bonds5

About 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline

3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline (PubChem CID 140680686) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
PubChem CID140680686
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
SMILESc1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1
InChIInChI=1S/C41H28N4/c1-2-13-29(14-3-1)43(30-15-10-17-32(27-30)44-38-23-7-4-19-34(38)35-20-5-8-24-39(35)44)31-16-11-18-33(28-31)45-40-25-9-6-21-36(40)37-22-12-26-42-41(37)45/h1-28H
InChIKeyQOWSIDBUEGQYSH-UHFFFAOYSA-N
XLogP10.75
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline
CID 121296363
N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
CID 59196853
10-tert-butyl-13,13-dimethyl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-amine
CID 155773503
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
CID 118504606
bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
CID 159122410
16-(2-pyrido[2,3-b]indol-9-ylcarbazol-9-yl)-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680827
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline?
The IUPAC name of 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline (CID 140680686) is 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline?
The canonical SMILES for 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline is c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cccnc43)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline?
The InChIKey is QOWSIDBUEGQYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-2-13-29(14-3-1)43(30-15-10-17-32(27-30)44-38-23-7-4-19-34(38)35-20-5-8-24-39(35)44)31-16-11-18-33(28-31)45-40-25-9-6-21-36(40)37-22-12-26-42-41(37)45/h1-28H.
What are the key properties of 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline?
3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline has a molecular weight of 576.70 g/mol, XLogP of 10.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline is sourced from PubChem (CID 140680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).