1,6-diphenylbenzotriazole

C18H13N3 — CID 162716973

IUPAC1,6-diphenylbenzotriazole
SMILESc1ccc(-c2ccc3nnn(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C18H13N3/c1-3-7-14(8-4-1)15-11-12-17-18(13-15)21(20-19-17)16-9-5-2-6-10-16/h1-13H
InChIKeyLYOWQKFBRKMXPO-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds2

About 1,6-diphenylbenzotriazole

1,6-diphenylbenzotriazole (PubChem CID 162716973) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1,6-diphenylbenzotriazole.

Molecular Properties

Compound Name1,6-diphenylbenzotriazole
PubChem CID162716973
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name1,6-diphenylbenzotriazole
SMILESc1ccc(-c2ccc3nnn(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C18H13N3/c1-3-7-14(8-4-1)15-11-12-17-18(13-15)21(20-19-17)16-9-5-2-6-10-16/h1-13H
InChIKeyLYOWQKFBRKMXPO-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
CID 121258116
1-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole;1-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzotriazole
CID 159508999
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
1-methyl-6-phenylbenzimidazole
CID 135028518
1-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzotriazole
CID 66634967
1-[4-(benzenesulfonyl)phenyl]benzotriazole
CID 23907838
1-[4-(benzotriazol-1-yl)phenyl]-N-methylmethanimine
CID 134591552
6-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717000
6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717005
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
2-[4-(benzotriazol-1-yl)phenyl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 127050985
1-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]benzotriazole
CID 118331748

Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylbenzotriazole?
The IUPAC name of 1,6-diphenylbenzotriazole (CID 162716973) is 1,6-diphenylbenzotriazole.
What is the SMILES notation for 1,6-diphenylbenzotriazole?
The canonical SMILES for 1,6-diphenylbenzotriazole is c1ccc(-c2ccc3nnn(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 1,6-diphenylbenzotriazole?
The InChIKey is LYOWQKFBRKMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-3-7-14(8-4-1)15-11-12-17-18(13-15)21(20-19-17)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 1,6-diphenylbenzotriazole?
1,6-diphenylbenzotriazole has a molecular weight of 271.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylbenzotriazole is sourced from PubChem (CID 162716973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).