2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine

C37H24N2O2 — CID 175626911

IUPAC2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
SMILESC=Cc1c(-c2ccccc2C)nc(-c2cccc3c2oc2ccccc23)nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H24N2O2/c1-3-23-33(24-13-5-4-12-22(24)2)38-37(30-19-11-17-28-26-15-7-9-21-32(26)41-36(28)30)39-34(23)29-18-10-16-27-25-14-6-8-20-31(25)40-35(27)29/h3-21H,1H2,2H3
InChIKeyYODVBRAKTZZGAN-UHFFFAOYSA-N
MW528.61 g/mol
LogP10.23
Rot. Bonds4

About 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine

2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine (PubChem CID 175626911) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
PubChem CID175626911
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
SMILESC=Cc1c(-c2ccccc2C)nc(-c2cccc3c2oc2ccccc23)nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C37H24N2O2/c1-3-23-33(24-13-5-4-12-22(24)2)38-37(30-19-11-17-28-26-15-7-9-21-32(26)41-36(28)30)39-34(23)29-18-10-16-27-25-14-6-8-20-31(25)40-35(27)29/h3-21H,1H2,2H3
InChIKeyYODVBRAKTZZGAN-UHFFFAOYSA-N
XLogP10.23
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010684
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-dibenzofuran-4-yl-4-methyl-6-pyridin-4-yl-1,3,5-triazine
CID 155603381

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine (CID 175626911) is 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine is C=Cc1c(-c2ccccc2C)nc(-c2cccc3c2oc2ccccc23)nc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine?
The InChIKey is YODVBRAKTZZGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c1-3-23-33(24-13-5-4-12-22(24)2)38-37(30-19-11-17-28-26-15-7-9-21-32(26)41-36(28)30)39-34(23)29-18-10-16-27-25-14-6-8-20-31(25)40-35(27)29/h3-21H,1H2,2H3.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine?
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine has a molecular weight of 528.61 g/mol, XLogP of 10.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 175626911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).