2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine

C24H18N2 — CID 7114809

IUPAC2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine
SMILESC(=C/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C24H18N2/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)26-24(25-22)21-14-8-3-9-15-21/h1-18H/b17-16+
InChIKeyPVIBPLCGUBSPDX-WUKNDPDISA-N
MW334.42 g/mol
LogP5.98
Rot. Bonds4

About 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine

2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine (PubChem CID 7114809) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine
PubChem CID7114809
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine
SMILESC(=C/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C24H18N2/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)26-24(25-22)21-14-8-3-9-15-21/h1-18H/b17-16+
InChIKeyPVIBPLCGUBSPDX-WUKNDPDISA-N
XLogP5.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-(2-phenylethenyl)pyridine
CID 3299045
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[4-[4,7-dimethyl-9-[(E)-2-phenylethenyl]-1,10-phenanthrolin-2-yl]phenyl]-4,7-dimethyl-9-[(E)-2-phenylethenyl]-1,10-phenanthroline
CID 70667674
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-[(E)-2-phenylethenyl]azulene
CID 12674002
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine (CID 7114809) is 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine is C(=C/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1.
What is the InChIKey of 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is PVIBPLCGUBSPDX-WUKNDPDISA-N. The full InChI is InChI=1S/C24H18N2/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)26-24(25-22)21-14-8-3-9-15-21/h1-18H/b17-16+.
What are the key properties of 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine?
2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 334.42 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 7114809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).