2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

C43H31N7 — CID 58382626

IUPAC2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5cnccn5)cc4)cc(-c4ccc(-c5cnccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H31N7/c1-28-3-7-34(8-4-28)41-48-42(35-9-5-29(2)6-10-35)50-43(49-41)38-24-36(30-11-15-32(16-12-30)39-26-44-19-21-46-39)23-37(25-38)31-13-17-33(18-14-31)40-27-45-20-22-47-40/h3-27H,1-2H3
InChIKeyFDTMRBHUNICECB-UHFFFAOYSA-N
MW645.77 g/mol
LogP9.74
Rot. Bonds7

About 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 58382626) has the molecular formula C43H31N7 and a molecular weight of 645.77 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID58382626
Molecular FormulaC43H31N7
Molecular Weight645.77 g/mol
Exact Mass645.26
IUPAC Name2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5cnccn5)cc4)cc(-c4ccc(-c5cnccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H31N7/c1-28-3-7-34(8-4-28)41-48-42(35-9-5-29(2)6-10-35)50-43(49-41)38-24-36(30-11-15-32(16-12-30)39-26-44-19-21-46-39)23-37(25-38)31-13-17-33(18-14-31)40-27-45-20-22-47-40/h3-27H,1-2H3
InChIKeyFDTMRBHUNICECB-UHFFFAOYSA-N
XLogP9.74
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 58382626) is 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5cnccn5)cc4)cc(-c4ccc(-c5cnccn5)cc4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is FDTMRBHUNICECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N7/c1-28-3-7-34(8-4-28)41-48-42(35-9-5-29(2)6-10-35)50-43(49-41)38-24-36(30-11-15-32(16-12-30)39-26-44-19-21-46-39)23-37(25-38)31-13-17-33(18-14-31)40-27-45-20-22-47-40/h3-27H,1-2H3.
What are the key properties of 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 645.77 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).