2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine

C41H27N7 — CID 102220863

IUPAC2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C41H27N7/c1-2-4-32(5-3-1)39-46-40(37-24-33(28-6-14-42-15-7-28)22-34(25-37)29-8-16-43-17-9-29)48-41(47-39)38-26-35(30-10-18-44-19-11-30)23-36(27-38)31-12-20-45-21-13-31/h1-27H
InChIKeyDBDYCOUJBOYTMW-UHFFFAOYSA-N
MW617.72 g/mol
LogP9.12
Rot. Bonds7

About 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine

2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 102220863) has the molecular formula C41H27N7 and a molecular weight of 617.72 g/mol. Its IUPAC name is 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID102220863
Molecular FormulaC41H27N7
Molecular Weight617.72 g/mol
Exact Mass617.23
IUPAC Name2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C41H27N7/c1-2-4-32(5-3-1)39-46-40(37-24-33(28-6-14-42-15-7-28)22-34(25-37)29-8-16-43-17-9-29)48-41(47-39)38-26-35(30-10-18-44-19-11-30)23-36(27-38)31-12-20-45-21-13-31/h1-27H
InChIKeyDBDYCOUJBOYTMW-UHFFFAOYSA-N
XLogP9.12
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.72
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine (CID 102220863) is 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)cc1.
What is the InChIKey of 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is DBDYCOUJBOYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N7/c1-2-4-32(5-3-1)39-46-40(37-24-33(28-6-14-42-15-7-28)22-34(25-37)29-8-16-43-17-9-29)48-41(47-39)38-26-35(30-10-18-44-19-11-30)23-36(27-38)31-12-20-45-21-13-31/h1-27H.
What are the key properties of 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine?
2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 617.72 g/mol, XLogP of 9.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-dipyridin-4-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 102220863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).