6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine

C38H27FN2 — CID 167237259

IUPAC6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine
SMILESFc1ccc(-c2ccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H27FN2/c39-31-21-19-27(20-22-31)26-15-17-28(18-16-26)32-23-24-35(34-14-8-7-13-33(32)34)37-25-36(29-9-3-1-4-10-29)40-38(41-37)30-11-5-2-6-12-30/h1-25,38,41H
InChIKeyBMMISYKMKXUMPA-UHFFFAOYSA-N
MW530.65 g/mol
LogP9.45
Rot. Bonds5

About 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine

6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine (PubChem CID 167237259) has the molecular formula C38H27FN2 and a molecular weight of 530.65 g/mol. Its IUPAC name is 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine
PubChem CID167237259
Molecular FormulaC38H27FN2
Molecular Weight530.65 g/mol
Exact Mass530.22
IUPAC Name6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine
SMILESFc1ccc(-c2ccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H27FN2/c39-31-21-19-27(20-22-31)26-15-17-28(18-16-26)32-23-24-35(34-14-8-7-13-33(32)34)37-25-36(29-9-3-1-4-10-29)40-38(41-37)30-11-5-2-6-12-30/h1-25,38,41H
InChIKeyBMMISYKMKXUMPA-UHFFFAOYSA-N
XLogP9.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine?
The IUPAC name of 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine (CID 167237259) is 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine?
The canonical SMILES for 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine is Fc1ccc(-c2ccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)c4ccccc34)cc2)cc1.
What is the InChIKey of 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine?
The InChIKey is BMMISYKMKXUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27FN2/c39-31-21-19-27(20-22-31)26-15-17-28(18-16-26)32-23-24-35(34-14-8-7-13-33(32)34)37-25-36(29-9-3-1-4-10-29)40-38(41-37)30-11-5-2-6-12-30/h1-25,38,41H.
What are the key properties of 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine?
6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine has a molecular weight of 530.65 g/mol, XLogP of 9.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-fluorophenyl)phenyl]naphthalen-1-yl]-2,4-diphenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 167237259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).