(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile

C26H15N5 — CID 70888367

IUPAC(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile
SMILESN#Cc1c(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)nn2/c1=C/c1ccccc1
InChIInChI=1S/C26H15N5/c27-16-22-23(17-28)26-29-25(30-31(26)24(22)15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-15H/b24-15+
InChIKeyCWYJWCGWDMOQIS-BUVRLJJBSA-N
MW397.44 g/mol
LogP4.35
Rot. Bonds3

About (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile

(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile (PubChem CID 70888367) has the molecular formula C26H15N5 and a molecular weight of 397.44 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile
PubChem CID70888367
Molecular FormulaC26H15N5
Molecular Weight397.44 g/mol
Exact Mass397.13
IUPAC Name(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile
SMILESN#Cc1c(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)nn2/c1=C/c1ccccc1
InChIInChI=1S/C26H15N5/c27-16-22-23(17-28)26-29-25(30-31(26)24(22)15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-15H/b24-15+
InChIKeyCWYJWCGWDMOQIS-BUVRLJJBSA-N
XLogP4.35
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-5-benzylidene-6-isocyano-2-phenylpyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
CID 59055237
7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 141474015
6-butyl-5-chloro-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 23151572
(5E)-5-benzylidene-2-[3-[(5E)-5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10007247
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
5-benzylidene-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3677078
2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313636
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
4-[4-(4-cyano-3,5-difluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorobenzonitrile
CID 163289957

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile?
The IUPAC name of (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile (CID 70888367) is (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile.
What is the SMILES notation for (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile?
The canonical SMILES for (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile is N#Cc1c(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)nn2/c1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile?
The InChIKey is CWYJWCGWDMOQIS-BUVRLJJBSA-N. The full InChI is InChI=1S/C26H15N5/c27-16-22-23(17-28)26-29-25(30-31(26)24(22)15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-15H/b24-15+.
What are the key properties of (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile?
(5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile has a molecular weight of 397.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-(4-phenylphenyl)pyrrolo[1,2-b][1,2,4]triazole-6,7-dicarbonitrile is sourced from PubChem (CID 70888367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).