(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone

C27H20N4O2 — CID 155934303

IUPAC(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
SMILESO=C(c1ccccc1O)c1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H20N4O2/c32-24-14-8-7-13-23(24)27(33)26-25(28-30-29-26)19-15-17-22(18-16-19)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,32H,(H,28,29,30)
InChIKeyCIODWKUZJUWPSH-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.88
Rot. Bonds6

About (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone

(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone (PubChem CID 155934303) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
PubChem CID155934303
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
SMILESO=C(c1ccccc1O)c1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H20N4O2/c32-24-14-8-7-13-23(24)27(33)26-25(28-30-29-26)19-15-17-22(18-16-19)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,32H,(H,28,29,30)
InChIKeyCIODWKUZJUWPSH-UHFFFAOYSA-N
XLogP5.88
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
CID 155934296
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 155934139
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
N-methyl-5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-amine
CID 170147613
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
CID 135057764
methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
CID 166230172
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
CID 138981933
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone (CID 155934303) is (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone is O=C(c1ccccc1O)c1n[nH]nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone?
The InChIKey is CIODWKUZJUWPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c32-24-14-8-7-13-23(24)27(33)26-25(28-30-29-26)19-15-17-22(18-16-19)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,32H,(H,28,29,30).
What are the key properties of (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone?
(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone has a molecular weight of 432.48 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone is sourced from PubChem (CID 155934303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).