2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

C40H27N7 — CID 59273741

IUPAC2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C40H27N7/c1-26-24-30(20-21-31(26)29-19-18-27-10-2-3-11-28(27)25-29)38-45-39(36-16-8-14-34(43-36)32-12-4-6-22-41-32)47-40(46-38)37-17-9-15-35(44-37)33-13-5-7-23-42-33/h2-25H,1H3
InChIKeyADEMIHZOABRXDI-UHFFFAOYSA-N
MW605.71 g/mol
LogP8.92
Rot. Bonds6

About 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 59273741) has the molecular formula C40H27N7 and a molecular weight of 605.71 g/mol. Its IUPAC name is 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID59273741
Molecular FormulaC40H27N7
Molecular Weight605.71 g/mol
Exact Mass605.23
IUPAC Name2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C40H27N7/c1-26-24-30(20-21-31(26)29-19-18-27-10-2-3-11-28(27)25-29)38-45-39(36-16-8-14-34(43-36)32-12-4-6-22-41-32)47-40(46-38)37-17-9-15-35(44-37)33-13-5-7-23-42-33/h2-25H,1H3
InChIKeyADEMIHZOABRXDI-UHFFFAOYSA-N
XLogP8.92
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (CID 59273741) is 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is Cc1cc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)ccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is ADEMIHZOABRXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N7/c1-26-24-30(20-21-31(26)29-19-18-27-10-2-3-11-28(27)25-29)38-45-39(36-16-8-14-34(43-36)32-12-4-6-22-41-32)47-40(46-38)37-17-9-15-35(44-37)33-13-5-7-23-42-33/h2-25H,1H3.
What are the key properties of 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 605.71 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 59273741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).