5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile

C30H14N8 — CID 13007266

IUPAC5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(-c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccccc3)cc2)nc1C#N
InChIInChI=1S/C30H14N8/c31-15-23-25(17-33)37-29(27(35-23)19-7-3-1-4-8-19)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-24(16-32)26(18-34)38-30/h1-14H
InChIKeyCRQDELSBHSGXPM-UHFFFAOYSA-N
MW486.50 g/mol
LogP5.42
Rot. Bonds4

About 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile

5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile (PubChem CID 13007266) has the molecular formula C30H14N8 and a molecular weight of 486.50 g/mol. Its IUPAC name is 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile
PubChem CID13007266
Molecular FormulaC30H14N8
Molecular Weight486.50 g/mol
Exact Mass486.13
IUPAC Name5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(-c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccccc3)cc2)nc1C#N
InChIInChI=1S/C30H14N8/c31-15-23-25(17-33)37-29(27(35-23)19-7-3-1-4-8-19)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-24(16-32)26(18-34)38-30/h1-14H
InChIKeyCRQDELSBHSGXPM-UHFFFAOYSA-N
XLogP5.42
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile (CID 13007266) is 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile is N#Cc1nc(-c2ccccc2)c(-c2ccc(-c3nc(C#N)c(C#N)nc3-c3ccccc3)cc2)nc1C#N.
What is the InChIKey of 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile?
The InChIKey is CRQDELSBHSGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14N8/c31-15-23-25(17-33)37-29(27(35-23)19-7-3-1-4-8-19)21-11-13-22(14-12-21)30-28(20-9-5-2-6-10-20)36-24(16-32)26(18-34)38-30/h1-14H.
What are the key properties of 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile?
5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile has a molecular weight of 486.50 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5,6-dicyano-3-phenylpyrazin-2-yl)phenyl]-6-phenylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13007266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).