2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine

C40H22N2O3 — CID 138736794

IUPAC2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
SMILESc1ccc2c(c1)oc1cc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc12
InChIInChI=1S/C40H22N2O3/c1-4-10-34-26(7-1)29-16-13-24(21-39(29)45-34)33-22-32(23-14-17-37-30(19-23)27-8-2-5-11-35(27)43-37)41-40(42-33)25-15-18-38-31(20-25)28-9-3-6-12-36(28)44-38/h1-22H
InChIKeyWUVCDXPZEAVBBI-UHFFFAOYSA-N
MW578.63 g/mol
LogP11.18
Rot. Bonds3

About 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine

2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine (PubChem CID 138736794) has the molecular formula C40H22N2O3 and a molecular weight of 578.63 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
PubChem CID138736794
Molecular FormulaC40H22N2O3
Molecular Weight578.63 g/mol
Exact Mass578.16
IUPAC Name2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
SMILESc1ccc2c(c1)oc1cc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc12
InChIInChI=1S/C40H22N2O3/c1-4-10-34-26(7-1)29-16-13-24(21-39(29)45-34)33-22-32(23-14-17-37-30(19-23)27-8-2-5-11-35(27)43-37)41-40(42-33)25-15-18-38-31(20-25)28-9-3-6-12-36(28)44-38/h1-22H
InChIKeyWUVCDXPZEAVBBI-UHFFFAOYSA-N
XLogP11.18
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-2,6-diphenylpyrimidine
CID 153121371
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)-2,6-diphenylpyrimidine
CID 138651146
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine?
The IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine (CID 138736794) is 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine.
What is the SMILES notation for 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine?
The canonical SMILES for 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine is c1ccc2c(c1)oc1cc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc12.
What is the InChIKey of 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine?
The InChIKey is WUVCDXPZEAVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2O3/c1-4-10-34-26(7-1)29-16-13-24(21-39(29)45-34)33-22-32(23-14-17-37-30(19-23)27-8-2-5-11-35(27)43-37)41-40(42-33)25-15-18-38-31(20-25)28-9-3-6-12-36(28)44-38/h1-22H.
What are the key properties of 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine?
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine has a molecular weight of 578.63 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine is sourced from PubChem (CID 138736794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).