11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline

C43H27N3O — CID 138661762

IUPAC11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6nc6c5oc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H27N3O/c1-3-13-28(14-4-1)37-27-38(46-43(45-37)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-9-23-36(34)44-41-35-22-8-10-24-39(35)47-42(40)41/h1-27H
InChIKeyZIRPLAQFNWBADZ-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.26
Rot. Bonds5

About 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline

11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661762) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661762
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6nc6c5oc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H27N3O/c1-3-13-28(14-4-1)37-27-38(46-43(45-37)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-9-23-36(34)44-41-35-22-8-10-24-39(35)47-42(40)41/h1-27H
InChIKeyZIRPLAQFNWBADZ-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 138661945
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
14-[3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124581
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
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
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
11-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 159018591
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline (CID 138661762) is 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6nc6c5oc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is ZIRPLAQFNWBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-3-13-28(14-4-1)37-27-38(46-43(45-37)29-15-5-2-6-16-29)32-19-11-17-30(25-32)31-18-12-20-33(26-31)40-34-21-7-9-23-36(34)44-41-35-22-8-10-24-39(35)47-42(40)41/h1-27H.
What are the key properties of 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline?
11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 601.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).