3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine

C38H24N6 — CID 20816666

IUPAC3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine
SMILESc1ccc(-c2nc3cnccc3nc2-c2ccc(-c3ccc(-c4nc5ccncc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H24N6/c1-3-7-27(8-4-1)35-37(41-31-19-21-39-23-33(31)43-35)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38-36(28-9-5-2-6-10-28)44-34-24-40-22-20-32(34)42-38/h1-24H
InChIKeyPTTAZSPQVOYSBM-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.70
Rot. Bonds5

About 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine

3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine (PubChem CID 20816666) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine
PubChem CID20816666
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine
SMILESc1ccc(-c2nc3cnccc3nc2-c2ccc(-c3ccc(-c4nc5ccncc5nc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H24N6/c1-3-7-27(8-4-1)35-37(41-31-19-21-39-23-33(31)43-35)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38-36(28-9-5-2-6-10-28)44-34-24-40-22-20-32(34)42-38/h1-24H
InChIKeyPTTAZSPQVOYSBM-UHFFFAOYSA-N
XLogP8.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine?
The IUPAC name of 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine (CID 20816666) is 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine is c1ccc(-c2nc3cnccc3nc2-c2ccc(-c3ccc(-c4nc5ccncc5nc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine?
The InChIKey is PTTAZSPQVOYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-3-7-27(8-4-1)35-37(41-31-19-21-39-23-33(31)43-35)29-15-11-25(12-16-29)26-13-17-30(18-14-26)38-36(28-9-5-2-6-10-28)44-34-24-40-22-20-32(34)42-38/h1-24H.
What are the key properties of 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine?
3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine has a molecular weight of 564.65 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-[4-(3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 20816666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).