2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

C41H27N5 — CID 129101507

IUPAC2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27H
InChIKeyUPOBVCRZEWTODS-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.82
Rot. Bonds6

About 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 129101507) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID129101507
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27H
InChIKeyUPOBVCRZEWTODS-UHFFFAOYSA-N
XLogP9.82
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
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-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837
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-[2-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-methylbenzimidazole;2-[2-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 157249059
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 129101507) is 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UPOBVCRZEWTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27H.
What are the key properties of 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 589.70 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129101507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).