4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine

C34H24N2O — CID 130374602

IUPAC4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C34H24N2O/c1-3-11-23(12-4-1)29-22-30(36-34(35-29)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-32-33(27)28-17-7-8-19-31(28)37-32/h1-22,34-35H
InChIKeyYNOFYXCBYQXXSW-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.39
Rot. Bonds4

About 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine

4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine (PubChem CID 130374602) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
PubChem CID130374602
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C34H24N2O/c1-3-11-23(12-4-1)29-22-30(36-34(35-29)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-32-33(27)28-17-7-8-19-31(28)37-32/h1-22,34-35H
InChIKeyYNOFYXCBYQXXSW-UHFFFAOYSA-N
XLogP8.39
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;methyl-[3-[4-[4-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-2-phenyl-1,2-dihydropyrimidin-6-yl]phenyl]benzene-6-id-1-yl]azanide;oxonickel
CID 167485080
2-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 137420533
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
CID 166902294
CID 166902294
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[cyclohexane-1,11'-fluoreno[3,2-b][1]benzofuran]-8'-ylphenyl)-1,2-dihydropyrimidine
CID 154947456
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
9-[9-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166859966
2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
CID 142324617

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine (CID 130374602) is 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2ccccc2)N=C1c1cccc(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine?
The InChIKey is YNOFYXCBYQXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-3-11-23(12-4-1)29-22-30(36-34(35-29)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-32-33(27)28-17-7-8-19-31(28)37-32/h1-22,34-35H.
What are the key properties of 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine?
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine has a molecular weight of 476.58 g/mol, XLogP of 8.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 130374602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).