2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C35H23N5 — CID 138750075

IUPAC2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccncn4)cc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-3-10-26(11-4-1)33-38-34(27-12-5-2-6-13-27)40-35(39-33)28-17-15-25(16-18-28)30-20-19-24-9-7-8-14-29(24)32(30)31-21-22-36-23-37-31/h1-23H
InChIKeyKHSPSTCJORSODY-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.15
Rot. Bonds5

About 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 138750075) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID138750075
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccncn4)cc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-3-10-26(11-4-1)33-38-34(27-12-5-2-6-13-27)40-35(39-33)28-17-15-25(16-18-28)30-20-19-24-9-7-8-14-29(24)32(30)31-21-22-36-23-37-31/h1-23H
InChIKeyKHSPSTCJORSODY-UHFFFAOYSA-N
XLogP8.15
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
2-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187334
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142488002
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
1,2-diphenylnaphthalene
CID 11208267
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 138750075) is 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccncn4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is KHSPSTCJORSODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-3-10-26(11-4-1)33-38-34(27-12-5-2-6-13-27)40-35(39-33)28-17-15-25(16-18-28)30-20-19-24-9-7-8-14-29(24)32(30)31-21-22-36-23-37-31/h1-23H.
What are the key properties of 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 513.60 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(1-pyrimidin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).