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

C53H35N5 — CID 129101509

IUPAC2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C53H35N5/c1-5-15-36(16-6-1)37-25-31-44(32-26-37)50-54-47(39-18-7-2-8-19-39)35-48(55-50)40-27-29-41(30-28-40)49-45-24-14-13-17-38(45)33-34-46(49)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H
InChIKeyJPEYOHRLHKYFDO-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.15
Rot. Bonds8

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

2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine (PubChem CID 129101509) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
PubChem CID129101509
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C53H35N5/c1-5-15-36(16-6-1)37-25-31-44(32-26-37)50-54-47(39-18-7-2-8-19-39)35-48(55-50)40-27-29-41(30-28-40)49-45-24-14-13-17-38(45)33-34-46(49)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H
InChIKeyJPEYOHRLHKYFDO-UHFFFAOYSA-N
XLogP13.15
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
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-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138749930
4-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167250433
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
1-[1-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindol-5-ium 5-oxide
CID 176638762

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine (CID 129101509) is 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccccc56)cc4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is JPEYOHRLHKYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-5-15-36(16-6-1)37-25-31-44(32-26-37)50-54-47(39-18-7-2-8-19-39)35-48(55-50)40-27-29-41(30-28-40)49-45-24-14-13-17-38(45)33-34-46(49)53-57-51(42-20-9-3-10-21-42)56-52(58-53)43-22-11-4-12-23-43/h1-35H.
What are the key properties of 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 741.90 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 129101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).