6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline

C43H25N3OS — CID 163862340

IUPAC6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-2-12-26(13-3-1)43-45-35(25-36(46-43)32-20-11-19-30-29-16-6-9-23-38(29)48-42(30)32)27-14-10-15-28(24-27)40-39-33-18-5-8-22-37(33)47-41(39)31-17-4-7-21-34(31)44-40/h1-25H
InChIKeyHIDSXLGILCOJLA-UHFFFAOYSA-N
MW631.76 g/mol
LogP11.96
Rot. Bonds4

About 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline

6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 163862340) has the molecular formula C43H25N3OS and a molecular weight of 631.76 g/mol. Its IUPAC name is 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID163862340
Molecular FormulaC43H25N3OS
Molecular Weight631.76 g/mol
Exact Mass631.17
IUPAC Name6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H25N3OS/c1-2-12-26(13-3-1)43-45-35(25-36(46-43)32-20-11-19-30-29-16-6-9-23-38(29)48-42(30)32)27-14-10-15-28(24-27)40-39-33-18-5-8-22-37(33)47-41(39)31-17-4-7-21-34(31)44-40/h1-25H
InChIKeyHIDSXLGILCOJLA-UHFFFAOYSA-N
XLogP11.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.76
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[2-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155019142
6-[4-[6-(3-dibenzothiophen-4-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163516830
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158269231
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 160798448
6-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158524980
4-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 159299055
4-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 148953478
4-[3-(2-dibenzofuran-4-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171582779
6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163547269
2-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-14-(4-phenylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-14-(4-phenylphenyl)-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 158836455
6-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155018983
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine
CID 171584527

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline (CID 163862340) is 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is HIDSXLGILCOJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS/c1-2-12-26(13-3-1)43-45-35(25-36(46-43)32-20-11-19-30-29-16-6-9-23-38(29)48-42(30)32)27-14-10-15-28(24-27)40-39-33-18-5-8-22-37(33)47-41(39)31-17-4-7-21-34(31)44-40/h1-25H.
What are the key properties of 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 631.76 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 163862340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).