3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline

C43H30N6 — CID 58500962

IUPAC3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1
InChIInChI=1S/C43H30N6/c1-4-17-32(18-5-1)47(33-19-6-2-7-20-33)35-23-14-16-31(30-35)42-45-46-43(48(42)34-21-8-3-9-22-34)38-26-15-29-41(44-38)49-39-27-12-10-24-36(39)37-25-11-13-28-40(37)49/h1-30H
InChIKeyZCYUXNMCHRBEIP-UHFFFAOYSA-N
MW630.76 g/mol
LogP10.56
Rot. Bonds7

About 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline

3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline (PubChem CID 58500962) has the molecular formula C43H30N6 and a molecular weight of 630.76 g/mol. Its IUPAC name is 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline
PubChem CID58500962
Molecular FormulaC43H30N6
Molecular Weight630.76 g/mol
Exact Mass630.25
IUPAC Name3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1
InChIInChI=1S/C43H30N6/c1-4-17-32(18-5-1)47(33-19-6-2-7-20-33)35-23-14-16-31(30-35)42-45-46-43(48(42)34-21-8-3-9-22-34)38-26-15-29-41(44-38)49-39-27-12-10-24-36(39)37-25-11-13-28-40(37)49/h1-30H
InChIKeyZCYUXNMCHRBEIP-UHFFFAOYSA-N
XLogP10.56
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.76
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
CID 118504606
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[2-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]phenyl]carbazole;N,N-diphenyl-3-[6-phenyl-2-[4-phenyl-6-[3-(N-phenylanilino)phenyl]pyrimidin-2-yl]pyrimidin-4-yl]aniline;2-(4,6-diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 158020152
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline (CID 58500962) is 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)n3-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline?
The InChIKey is ZCYUXNMCHRBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6/c1-4-17-32(18-5-1)47(33-19-6-2-7-20-33)35-23-14-16-31(30-35)42-45-46-43(48(42)34-21-8-3-9-22-34)38-26-15-29-41(44-38)49-39-27-12-10-24-36(39)37-25-11-13-28-40(37)49/h1-30H.
What are the key properties of 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline?
3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline has a molecular weight of 630.76 g/mol, XLogP of 10.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 58500962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).