7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine

C38H22N4O2 — CID 171580766

IUPAC7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncnc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C38H22N4O2/c1-3-9-23(10-4-1)30-21-31(24-11-5-2-6-12-24)42-37(41-30)36-35-28-17-15-26(20-34(28)44-38(35)40-22-39-36)25-16-18-33-29(19-25)27-13-7-8-14-32(27)43-33/h1-22H
InChIKeyGIJLRBGJJDJODL-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.73
Rot. Bonds4

About 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine

7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 171580766) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID171580766
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ncnc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1
InChIInChI=1S/C38H22N4O2/c1-3-9-23(10-4-1)30-21-31(24-11-5-2-6-12-24)42-37(41-30)36-35-28-17-15-26(20-34(28)44-38(35)40-22-39-36)25-16-18-33-29(19-25)27-13-7-8-14-32(27)43-33/h1-22H
InChIKeyGIJLRBGJJDJODL-UHFFFAOYSA-N
XLogP9.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
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-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
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-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-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine (CID 171580766) is 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ncnc4oc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c34)n2)cc1.
What is the InChIKey of 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is GIJLRBGJJDJODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-3-9-23(10-4-1)30-21-31(24-11-5-2-6-12-24)42-37(41-30)36-35-28-17-15-26(20-34(28)44-38(35)40-22-39-36)25-16-18-33-29(19-25)27-13-7-8-14-32(27)43-33/h1-22H.
What are the key properties of 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-2-yl-4-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 171580766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).