8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C150H86N6O4S5 — CID 159560395

IUPAC8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)c1.c1cc(-c2ccc(-c3ncnc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4c(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)ncnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H30N2O2S.C52H30N2OS2.C46H26N2OS2/c1-3-22-45-40(16-1)42-20-8-18-38(50(42)55-45)35-13-5-11-32(26-35)34-24-25-46-44(29-34)49-51(56-46)48(53-30-54-49)37-15-7-12-33(28-37)31-10-6-14-36(27-31)39-19-9-21-43-41-17-2-4-23-47(41)57-52(39)43;1-3-19-46-40(13-1)42-17-7-15-38(51(42)56-46)32-23-21-31(22-24-32)33-9-6-12-37(28-33)48-50-49(54-30-53-48)44-29-35(25-26-45(44)55-50)34-10-5-11-36(27-34)39-16-8-18-43-41-14-2-4-20-47(41)57-52(39)43;1-3-16-40-34(10-1)36-14-6-12-32(45(36)50-40)30-9-5-8-29(24-30)27-18-20-28(21-19-27)42-44-43(48-26-47-42)38-25-31(22-23-39(38)49-44)33-13-7-15-37-35-11-2-4-17-41(35)51-46(33)37/h2*1-30H;1-26H
InChIKeyMGNOJHKLWKDNOF-UHFFFAOYSA-N
MW2196.71 g/mol
LogP44.20
Rot. Bonds14

About 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159560395) has the molecular formula C150H86N6O4S5 and a molecular weight of 2196.71 g/mol. Its IUPAC name is 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159560395
Molecular FormulaC150H86N6O4S5
Molecular Weight2196.71 g/mol
Exact Mass2194.53
IUPAC Name8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)c1.c1cc(-c2ccc(-c3ncnc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4c(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)ncnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H30N2O2S.C52H30N2OS2.C46H26N2OS2/c1-3-22-45-40(16-1)42-20-8-18-38(50(42)55-45)35-13-5-11-32(26-35)34-24-25-46-44(29-34)49-51(56-46)48(53-30-54-49)37-15-7-12-33(28-37)31-10-6-14-36(27-31)39-19-9-21-43-41-17-2-4-23-47(41)57-52(39)43;1-3-19-46-40(13-1)42-17-7-15-38(51(42)56-46)32-23-21-31(22-24-32)33-9-6-12-37(28-33)48-50-49(54-30-53-48)44-29-35(25-26-45(44)55-50)34-10-5-11-36(27-34)39-16-8-18-43-41-14-2-4-20-47(41)57-52(39)43;1-3-16-40-34(10-1)36-14-6-12-32(45(36)50-40)30-9-5-8-29(24-30)27-18-20-28(21-19-27)42-44-43(48-26-47-42)38-25-31(22-23-39(38)49-44)33-13-7-15-37-35-11-2-4-17-41(35)51-46(33)37/h2*1-30H;1-26H
InChIKeyMGNOJHKLWKDNOF-UHFFFAOYSA-N
XLogP44.20
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002196.71
LogP ≤ 544.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-(4-dibenzothiophen-4-ylphenyl)-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485325
4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578992
4-(4-dibenzothiophen-4-ylphenyl)-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578991
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485304
4-(3-dibenzothiophen-4-ylphenyl)-8-[3-phenyl-5-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170655080
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzofuran-4-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 161391565
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 158582607
4,6-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129291463
4,8-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129291419
4,8-bis(3-dibenzothiophen-4-ylphenyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4,8-bis(3-dibenzothiophen-4-ylphenyl)-6-phenyl-[1]benzofuro[3,2-d]pyrimidine;4,8-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 160742513
4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578604
8-chloro-4-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-8-phenyl-[1]benzofuro[3,2-d]pyrimidine;phenylboronic acid
CID 158362592

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 159560395) is 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc23)c1.c1cc(-c2ccc(-c3ncnc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4c(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)ncnc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is MGNOJHKLWKDNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O2S.C52H30N2OS2.C46H26N2OS2/c1-3-22-45-40(16-1)42-20-8-18-38(50(42)55-45)35-13-5-11-32(26-35)34-24-25-46-44(29-34)49-51(56-46)48(53-30-54-49)37-15-7-12-33(28-37)31-10-6-14-36(27-31)39-19-9-21-43-41-17-2-4-23-47(41)57-52(39)43;1-3-19-46-40(13-1)42-17-7-15-38(51(42)56-46)32-23-21-31(22-24-32)33-9-6-12-37(28-33)48-50-49(54-30-53-48)44-29-35(25-26-45(44)55-50)34-10-5-11-36(27-34)39-16-8-18-43-41-14-2-4-20-47(41)57-52(39)43;1-3-16-40-34(10-1)36-14-6-12-32(45(36)50-40)30-9-5-8-29(24-30)27-18-20-28(21-19-27)42-44-43(48-26-47-42)38-25-31(22-23-39(38)49-44)33-13-7-15-37-35-11-2-4-17-41(35)51-46(33)37/h2*1-30H;1-26H.
What are the key properties of 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2196.71 g/mol, XLogP of 44.20, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).