6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol

C24H16N6O2 — CID 141485761

IUPAC6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol
SMILESOc1cc2n[nH]nc2c(-c2cc3n[nH]nc3c(-c3ccccc3)c2O)c1-c1ccccc1
InChIInChI=1S/C24H16N6O2/c31-18-12-17-23(28-30-26-17)21(19(18)13-7-3-1-4-8-13)15-11-16-22(27-29-25-16)20(24(15)32)14-9-5-2-6-10-14/h1-12,31-32H,(H,25,27,29)(H,26,28,30)
InChIKeyKNZTYVYPOAXEBA-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.64
Rot. Bonds3

About 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol

6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol (PubChem CID 141485761) has the molecular formula C24H16N6O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol.

Molecular Properties

Compound Name6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol
PubChem CID141485761
Molecular FormulaC24H16N6O2
Molecular Weight420.43 g/mol
Exact Mass420.13
IUPAC Name6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol
SMILESOc1cc2n[nH]nc2c(-c2cc3n[nH]nc3c(-c3ccccc3)c2O)c1-c1ccccc1
InChIInChI=1S/C24H16N6O2/c31-18-12-17-23(28-30-26-17)21(19(18)13-7-3-1-4-8-13)15-11-16-22(27-29-25-16)20(24(15)32)14-9-5-2-6-10-14/h1-12,31-32H,(H,25,27,29)(H,26,28,30)
InChIKeyKNZTYVYPOAXEBA-UHFFFAOYSA-N
XLogP4.64
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2H-benzotriazol-5-ol
CID 135976854
5-phenyl-2H-benzotriazol-4-ol
CID 135671418
2-(6-hydroxy-4-phenyl-2H-benzotriazol-5-yl)ethyl 2-methylprop-2-enoate
CID 142675624
4-[3-(aminomethyl)phenyl]-2H-benzotriazol-5-ol
CID 174966168
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
2H-benzotriazole;1,1'-biphenyl
CID 161096180
6-(4-phenylphenyl)-2H-benzotriazole-4-carboxamide
CID 85468861
4-(2,4,4-trimethylpentan-2-yl)-2H-benzotriazole-5,6-diol
CID 171853413
2H-cyclodeca[d]triazole
CID 135280907
7H-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol
CID 137210165
2-[2-[3-(2H-benzotriazol-4-yl)-5-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenol
CID 141211164
benzene-1,4-diol;2H-benzotriazole
CID 160549478

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol?
The IUPAC name of 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol (CID 141485761) is 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol.
What is the SMILES notation for 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol?
The canonical SMILES for 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol is Oc1cc2n[nH]nc2c(-c2cc3n[nH]nc3c(-c3ccccc3)c2O)c1-c1ccccc1.
What is the InChIKey of 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol?
The InChIKey is KNZTYVYPOAXEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O2/c31-18-12-17-23(28-30-26-17)21(19(18)13-7-3-1-4-8-13)15-11-16-22(27-29-25-16)20(24(15)32)14-9-5-2-6-10-14/h1-12,31-32H,(H,25,27,29)(H,26,28,30).
What are the key properties of 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol?
6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol has a molecular weight of 420.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-5-phenyl-2H-benzotriazol-4-yl)-4-phenyl-2H-benzotriazol-5-ol is sourced from PubChem (CID 141485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).