4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one

C22H14N2O2 — CID 175627263

IUPAC4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one
SMILESO=c1nc2oc3cc(-c4ccccc4)ccc3c2c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H14N2O2/c25-22-23-20(15-9-5-2-6-10-15)19-17-12-11-16(14-7-3-1-4-8-14)13-18(17)26-21(19)24-22/h1-13H,(H,23,24,25)
InChIKeyUUWJLFNCVRQBFT-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.00
Rot. Bonds2

About 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one

4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one (PubChem CID 175627263) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one
PubChem CID175627263
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one
SMILESO=c1nc2oc3cc(-c4ccccc4)ccc3c2c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H14N2O2/c25-22-23-20(15-9-5-2-6-10-15)19-17-12-11-16(14-7-3-1-4-8-14)13-18(17)26-21(19)24-22/h1-13H,(H,23,24,25)
InChIKeyUUWJLFNCVRQBFT-UHFFFAOYSA-N
XLogP5.00
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
CID 138651380
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
4-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-2,7-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 172624872
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798196
18-phenyl-5-(3-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933535
6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130212424
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
4-(4-phenylphenyl)-2-[3-[3-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489754
3,11-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440831
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one (CID 175627263) is 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one is O=c1nc2oc3cc(-c4ccccc4)ccc3c2c(-c2ccccc2)[nH]1.
What is the InChIKey of 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one?
The InChIKey is UUWJLFNCVRQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-22-23-20(15-9-5-2-6-10-15)19-17-12-11-16(14-7-3-1-4-8-14)13-18(17)26-21(19)24-22/h1-13H,(H,23,24,25).
What are the key properties of 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one?
4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one has a molecular weight of 338.37 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-3H-[1]benzofuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 175627263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).