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

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

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Related Compounds

2,3-bis(4-methylphenyl)pyrido[3,4-b]pyrazine
CID 5187890
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2,3-bis(4-dibenzofuran-1-ylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylnaphthalen-1-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-phenylpyrido[3,4-b]pyrazine;2,3-di(dibenzofuran-1-yl)quinoxaline
CID 161432167
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
4-phenylpyrido[3,4-d]pyrimidin-2-amine
CID 122439857
2,3-diphenyl-5-(5-phenyl-2-pyridinyl)-6-(4-pyridin-4-ylphenyl)pyrazine
CID 156509384
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine
CID 139835708
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476

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).