4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine

C37H32N2 — CID 130392498

IUPAC4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)cc1
InChIInChI=1S/C37H32N2/c1-37(2,32-22-18-28(19-23-32)27-12-6-3-7-13-27)33-24-20-31(21-25-33)36-38-34(29-14-8-4-9-15-29)26-35(39-36)30-16-10-5-11-17-30/h3-26,36,38H,1-2H3
InChIKeyDXYQKXZTPHMLOZ-UHFFFAOYSA-N
MW504.68 g/mol
LogP8.81
Rot. Bonds6

About 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine

4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine (PubChem CID 130392498) has the molecular formula C37H32N2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
PubChem CID130392498
Molecular FormulaC37H32N2
Molecular Weight504.68 g/mol
Exact Mass504.26
IUPAC Name4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)cc1
InChIInChI=1S/C37H32N2/c1-37(2,32-22-18-28(19-23-32)27-12-6-3-7-13-27)33-24-20-31(21-25-33)36-38-34(29-14-8-4-9-15-29)26-35(39-36)30-16-10-5-11-17-30/h3-26,36,38H,1-2H3
InChIKeyDXYQKXZTPHMLOZ-UHFFFAOYSA-N
XLogP8.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine (CID 130392498) is 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine is CC(C)(c1ccc(-c2ccccc2)cc1)c1ccc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine?
The InChIKey is DXYQKXZTPHMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2/c1-37(2,32-22-18-28(19-23-32)27-12-6-3-7-13-27)33-24-20-31(21-25-33)36-38-34(29-14-8-4-9-15-29)26-35(39-36)30-16-10-5-11-17-30/h3-26,36,38H,1-2H3.
What are the key properties of 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine?
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine has a molecular weight of 504.68 g/mol, XLogP of 8.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 130392498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).