2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine

C22H18N2 — CID 135178841

IUPAC2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1
InChIInChI=1S/C22H18N2/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-16-23-22(24-21)20-9-5-2-6-10-20/h1-16,21H,(H,23,24)
InChIKeyVTPSGGBPFNAJBM-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.96
Rot. Bonds3

About 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine

2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine (PubChem CID 135178841) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
PubChem CID135178841
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1
InChIInChI=1S/C22H18N2/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-16-23-22(24-21)20-9-5-2-6-10-20/h1-16,21H,(H,23,24)
InChIKeyVTPSGGBPFNAJBM-UHFFFAOYSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine (CID 135178841) is 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine is C1=CC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
The InChIKey is VTPSGGBPFNAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-3-7-17(8-4-1)18-11-13-19(14-12-18)21-15-16-23-22(24-21)20-9-5-2-6-10-20/h1-16,21H,(H,23,24).
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine?
2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine has a molecular weight of 310.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 135178841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).