2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol

C25H18N6O2 — CID 20596233

IUPAC2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(-n3nc4ccccc4n3)c2)cc1-n1nc2ccccc2n1
InChIInChI=1S/C25H18N6O2/c32-24-11-9-16(14-22(24)30-26-18-5-1-2-6-19(18)27-30)13-17-10-12-25(33)23(15-17)31-28-20-7-3-4-8-21(20)29-31/h1-12,14-15,32-33H,13H2
InChIKeyQIJKIPVVGPPQSV-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.16
Rot. Bonds4

About 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol

2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol (PubChem CID 20596233) has the molecular formula C25H18N6O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
PubChem CID20596233
Molecular FormulaC25H18N6O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC Name2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(-n3nc4ccccc4n3)c2)cc1-n1nc2ccccc2n1
InChIInChI=1S/C25H18N6O2/c32-24-11-9-16(14-22(24)30-26-18-5-1-2-6-19(18)27-30)13-17-10-12-25(33)23(15-17)31-28-20-7-3-4-8-21(20)29-31/h1-12,14-15,32-33H,13H2
InChIKeyQIJKIPVVGPPQSV-UHFFFAOYSA-N
XLogP4.16
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol (CID 20596233) is 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol is Oc1ccc(Cc2ccc(O)c(-n3nc4ccccc4n3)c2)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol?
The InChIKey is QIJKIPVVGPPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2/c32-24-11-9-16(14-22(24)30-26-18-5-1-2-6-19(18)27-30)13-17-10-12-25(33)23(15-17)31-28-20-7-3-4-8-21(20)29-31/h1-12,14-15,32-33H,13H2.
What are the key properties of 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol?
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol has a molecular weight of 434.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 20596233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).