4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C47H36N2 — CID 121315664

IUPAC4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESCC(C)(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H36N2/c1-47(2,42-27-23-36(24-28-42)41-22-19-34-13-9-10-16-40(34)31-41)43-29-25-38(26-30-43)45-32-44(48-46(49-45)39-14-7-4-8-15-39)37-20-17-35(18-21-37)33-11-5-3-6-12-33/h3-32H,1-2H3
InChIKeyWVDWBNUFKVUSMM-UHFFFAOYSA-N
MW628.82 g/mol
LogP12.29
Rot. Bonds7

About 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 121315664) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID121315664
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC Name4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESCC(C)(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H36N2/c1-47(2,42-27-23-36(24-28-42)41-22-19-34-13-9-10-16-40(34)31-41)43-29-25-38(26-30-43)45-32-44(48-46(49-45)39-14-7-4-8-15-39)37-20-17-35(18-21-37)33-11-5-3-6-12-33/h3-32H,1-2H3
InChIKeyWVDWBNUFKVUSMM-UHFFFAOYSA-N
XLogP12.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane
CID 145073394
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 121315664) is 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is CC(C)(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is WVDWBNUFKVUSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-47(2,42-27-23-36(24-28-42)41-22-19-34-13-9-10-16-40(34)31-41)43-29-25-38(26-30-43)45-32-44(48-46(49-45)39-14-7-4-8-15-39)37-20-17-35(18-21-37)33-11-5-3-6-12-33/h3-32H,1-2H3.
What are the key properties of 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 628.82 g/mol, XLogP of 12.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 121315664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).