5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

C26H27N3O2 — CID 146659131

IUPAC5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESC=Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H27N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h6-18H,1H2,2-5H3
InChIKeyVZHAPKSZQGPLOI-UHFFFAOYSA-N
MW413.52 g/mol
LogP6.30
Rot. Bonds7

About 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole

5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (PubChem CID 146659131) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.

Molecular Properties

Compound Name5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
PubChem CID146659131
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole
SMILESC=Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H27N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h6-18H,1H2,2-5H3
InChIKeyVZHAPKSZQGPLOI-UHFFFAOYSA-N
XLogP6.30
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,6-bis(4-propan-2-yloxyphenyl)benzotriazol-5-yl]methanamine
CID 146627929
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
CID 139571337
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 167569590
(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725
3-ethenyl-4-(2-ethenyl-5-propan-2-yloxyphenyl)phenol
CID 126487461
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
CID 79501518
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
2-[4-[6-methyl-3-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]phenyl]propan-2-ol
CID 146659111
2,3-dichloro-6-propan-2-yloxyquinoxaline
CID 142745885

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The IUPAC name of 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole (CID 146659131) is 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole.
What is the SMILES notation for 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The canonical SMILES for 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is C=Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
The InChIKey is VZHAPKSZQGPLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-6-19-15-25-26(16-24(19)20-7-11-22(12-8-20)30-17(2)3)29(28-27-25)21-9-13-23(14-10-21)31-18(4)5/h6-18H,1H2,2-5H3.
What are the key properties of 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole?
5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole has a molecular weight of 413.52 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole is sourced from PubChem (CID 146659131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).