2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine

C40H28N2 — CID 139044512

IUPAC2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-5-13-29(14-6-1)31-21-25-35(26-22-31)39-37(33-17-9-3-10-18-33)41-38(34-19-11-4-12-20-34)40(42-39)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28H
InChIKeyGKEDOOVHPCAKET-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.48
Rot. Bonds6

About 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine

2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine (PubChem CID 139044512) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine.

Molecular Properties

Compound Name2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine
PubChem CID139044512
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H28N2/c1-5-13-29(14-6-1)31-21-25-35(26-22-31)39-37(33-17-9-3-10-18-33)41-38(34-19-11-4-12-20-34)40(42-39)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28H
InChIKeyGKEDOOVHPCAKET-UHFFFAOYSA-N
XLogP10.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine?
The IUPAC name of 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine (CID 139044512) is 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine.
What is the SMILES notation for 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine?
The canonical SMILES for 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine?
The InChIKey is GKEDOOVHPCAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-5-13-29(14-6-1)31-21-25-35(26-22-31)39-37(33-17-9-3-10-18-33)41-38(34-19-11-4-12-20-34)40(42-39)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28H.
What are the key properties of 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine?
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine has a molecular weight of 536.68 g/mol, XLogP of 10.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3,5-bis(4-phenylphenyl)pyrazine is sourced from PubChem (CID 139044512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).