4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine

C32H20F2N2 — CID 167237127

IUPAC4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)cc1F
InChIInChI=1S/C32H20F2N2/c33-28-18-15-23(19-29(28)34)24-16-17-27(26-14-8-7-13-25(24)26)31-20-30(21-9-3-1-4-10-21)35-32(36-31)22-11-5-2-6-12-22/h1-20H
InChIKeyVTQOXZNQMFBLRA-UHFFFAOYSA-N
MW470.52 g/mol
LogP8.58
Rot. Bonds4

About 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine

4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine (PubChem CID 167237127) has the molecular formula C32H20F2N2 and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine
PubChem CID167237127
Molecular FormulaC32H20F2N2
Molecular Weight470.52 g/mol
Exact Mass470.16
IUPAC Name4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)cc1F
InChIInChI=1S/C32H20F2N2/c33-28-18-15-23(19-29(28)34)24-16-17-27(26-14-8-7-13-25(24)26)31-20-30(21-9-3-1-4-10-21)35-32(36-31)22-11-5-2-6-12-22/h1-20H
InChIKeyVTQOXZNQMFBLRA-UHFFFAOYSA-N
XLogP8.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(4-naphthalen-2-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 170188925
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine (CID 167237127) is 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine is Fc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)cc1F.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
The InChIKey is VTQOXZNQMFBLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F2N2/c33-28-18-15-23(19-29(28)34)24-16-17-27(26-14-8-7-13-25(24)26)31-20-30(21-9-3-1-4-10-21)35-32(36-31)22-11-5-2-6-12-22/h1-20H.
What are the key properties of 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine?
4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine has a molecular weight of 470.52 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 167237127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).