3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine

C35H23N7 — CID 6414427

IUPAC3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)c(-c5ccccc5)n4)n3)nc2-c2ccccc2)cc1
InChIInChI=1S/C35H23N7/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-41-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-42-35)27-20-11-4-12-21-27/h1-23H
InChIKeyMAHACDPJCRWPOT-UHFFFAOYSA-N
MW541.62 g/mol
LogP7.45
Rot. Bonds6

About 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine

3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine (PubChem CID 6414427) has the molecular formula C35H23N7 and a molecular weight of 541.62 g/mol. Its IUPAC name is 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine
PubChem CID6414427
Molecular FormulaC35H23N7
Molecular Weight541.62 g/mol
Exact Mass541.20
IUPAC Name3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine
SMILESc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)c(-c5ccccc5)n4)n3)nc2-c2ccccc2)cc1
InChIInChI=1S/C35H23N7/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-41-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-42-35)27-20-11-4-12-21-27/h1-23H
InChIKeyMAHACDPJCRWPOT-UHFFFAOYSA-N
XLogP7.45
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.62
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine (CID 6414427) is 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine is c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccccc5)c(-c5ccccc5)n4)n3)nc2-c2ccccc2)cc1.
What is the InChIKey of 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine?
The InChIKey is MAHACDPJCRWPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N7/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-41-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-42-35)27-20-11-4-12-21-27/h1-23H.
What are the key properties of 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine?
3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine has a molecular weight of 541.62 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-5,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 6414427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).