2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine

C51H33N5 — CID 176632630

IUPAC2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)39-29-15-25-35-26-16-30-44(47(35)39)46-33-45(52-48(53-46)36-19-7-2-8-20-36)42-31-32-43(41-28-14-13-27-40(41)42)51-55-49(37-21-9-3-10-22-37)54-50(56-51)38-23-11-4-12-24-38/h1-33H
InChIKeyZJFUGANRKXEOOM-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.64
Rot. Bonds7

About 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 176632630) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID176632630
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C51H33N5/c1-5-17-34(18-6-1)39-29-15-25-35-26-16-30-44(47(35)39)46-33-45(52-48(53-46)36-19-7-2-8-20-36)42-31-32-43(41-28-14-13-27-40(41)42)51-55-49(37-21-9-3-10-22-37)54-50(56-51)38-23-11-4-12-24-38/h1-33H
InChIKeyZJFUGANRKXEOOM-UHFFFAOYSA-N
XLogP12.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
CID 176632658
4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
CID 176632469
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160870715
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(8-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine
CID 177076732
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012434
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076845
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076868
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine (CID 176632630) is 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is ZJFUGANRKXEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-5-17-34(18-6-1)39-29-15-25-35-26-16-30-44(47(35)39)46-33-45(52-48(53-46)36-19-7-2-8-20-36)42-31-32-43(41-28-14-13-27-40(41)42)51-55-49(37-21-9-3-10-22-37)54-50(56-51)38-23-11-4-12-24-38/h1-33H.
What are the key properties of 2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 12.64, 7 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-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 176632630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).