4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine

C34H25ClN2O — CID 155042592

IUPAC4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine
SMILESCCC1C(c2ccccc2)=NC(c2ccc3ccccc3c2)=NC1c1cc(Cl)c2oc3ccccc3c2c1
InChIInChI=1S/C34H25ClN2O/c1-2-26-31(22-11-4-3-5-12-22)36-34(24-17-16-21-10-6-7-13-23(21)18-24)37-32(26)25-19-28-27-14-8-9-15-30(27)38-33(28)29(35)20-25/h3-20,26,32H,2H2,1H3
InChIKeySALREBYPSHEGKR-UHFFFAOYSA-N
MW513.04 g/mol
LogP9.41
Rot. Bonds4

About 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine

4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine (PubChem CID 155042592) has the molecular formula C34H25ClN2O and a molecular weight of 513.04 g/mol. Its IUPAC name is 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine
PubChem CID155042592
Molecular FormulaC34H25ClN2O
Molecular Weight513.04 g/mol
Exact Mass512.17
IUPAC Name4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine
SMILESCCC1C(c2ccccc2)=NC(c2ccc3ccccc3c2)=NC1c1cc(Cl)c2oc3ccccc3c2c1
InChIInChI=1S/C34H25ClN2O/c1-2-26-31(22-11-4-3-5-12-22)36-34(24-17-16-21-10-6-7-13-23(21)18-24)37-32(26)25-19-28-27-14-8-9-15-30(27)38-33(28)29(35)20-25/h3-20,26,32H,2H2,1H3
InChIKeySALREBYPSHEGKR-UHFFFAOYSA-N
XLogP9.41
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[2-(6-dibenzofuran-2-yl-5-ethyl-2-naphthalen-1-yl-4,5-dihydropyrimidin-4-yl)dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167043304
12-[4-[5-ethyl-2-(3-phenylphenyl)-4-(4-phenylphenyl)-4,5-dihydropyrimidin-6-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699038
4-dibenzofuran-1-yl-5-ethyl-2-(7-methylnaphtho[1,2-b][1]benzofuran-9-yl)-6-phenyl-4,5-dihydropyrimidine
CID 155038154
17-naphthalen-2-yl-19-phenyl-4-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.03,11.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3(11),5,7,9,12,16,18,22(37),23,25(36),26,28,30,32,34-hexadecaene
CID 167032886
6-(5-ethyl-4-naphthalen-2-yl-2-phenyl-4,5-dihydropyrimidin-6-yl)naphtho[2,1-f]isoquinoline
CID 174287480
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
5-[4-(5-ethyl-2,4-diphenyl-4,5-dihydropyrimidin-6-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole
CID 154982215
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853545
2-naphthalen-2-yl-4-(2-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
CID 176853463

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine?
The IUPAC name of 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine (CID 155042592) is 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine.
What is the SMILES notation for 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine?
The canonical SMILES for 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine is CCC1C(c2ccccc2)=NC(c2ccc3ccccc3c2)=NC1c1cc(Cl)c2oc3ccccc3c2c1.
What is the InChIKey of 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine?
The InChIKey is SALREBYPSHEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClN2O/c1-2-26-31(22-11-4-3-5-12-22)36-34(24-17-16-21-10-6-7-13-23(21)18-24)37-32(26)25-19-28-27-14-8-9-15-30(27)38-33(28)29(35)20-25/h3-20,26,32H,2H2,1H3.
What are the key properties of 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine?
4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine has a molecular weight of 513.04 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorodibenzofuran-2-yl)-5-ethyl-2-naphthalen-2-yl-6-phenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 155042592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).