5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine

C38H27N5 — CID 118898296

IUPAC5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C38H27N5/c1-4-14-28(15-5-1)37-39-40-38(43(37)31-18-8-3-9-19-31)29-24-26-32(27-25-29)42-35-22-12-10-20-33(35)41(30-16-6-2-7-17-30)34-21-11-13-23-36(34)42/h1-27H
InChIKeyZYNFGMXIAPFYDQ-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.85
Rot. Bonds5

About 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine

5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine (PubChem CID 118898296) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
PubChem CID118898296
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C38H27N5/c1-4-14-28(15-5-1)37-39-40-38(43(37)31-18-8-3-9-19-31)29-24-26-32(27-25-29)42-35-22-12-10-20-33(35)41(30-16-6-2-7-17-30)34-21-11-13-23-36(34)42/h1-27H
InChIKeyZYNFGMXIAPFYDQ-UHFFFAOYSA-N
XLogP9.85
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine?
The IUPAC name of 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine (CID 118898296) is 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine is c1ccc(-c2nnc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine?
The InChIKey is ZYNFGMXIAPFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-4-14-28(15-5-1)37-39-40-38(43(37)31-18-8-3-9-19-31)29-24-26-32(27-25-29)42-35-22-12-10-20-33(35)41(30-16-6-2-7-17-30)34-21-11-13-23-36(34)42/h1-27H.
What are the key properties of 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine?
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine has a molecular weight of 553.67 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine is sourced from PubChem (CID 118898296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).