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

C144H84N8O4S3 — CID 161391565

IUPAC8-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
SMILESc1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1
InChIInChI=1S/C52H31N3OS.C46H27N3OS.C46H26N2O2S/c1-4-22-45-40(17-1)41-18-2-5-23-46(41)55(45)38-16-9-13-34(29-38)35-25-26-47-44(30-35)50-51(56-47)49(53-31-54-50)37-15-8-12-33(28-37)32-11-7-14-36(27-32)39-20-10-21-43-42-19-3-6-24-48(42)57-52(39)43;1-4-19-39-34(14-1)35-15-2-5-20-40(35)49(39)32-22-23-41-38(26-32)44-45(50-41)43(47-27-48-44)31-13-8-11-29(25-31)28-10-7-12-30(24-28)33-17-9-18-37-36-16-3-6-21-42(36)51-46(33)37;1-3-19-39-34(13-1)36-17-7-15-32(44(36)49-39)30-21-22-40-38(25-30)43-45(50-40)42(47-26-48-43)31-12-6-10-28(24-31)27-9-5-11-29(23-27)33-16-8-18-37-35-14-2-4-20-41(35)51-46(33)37/h1-31H;1-27H;1-26H
InChIKeyVTBBDRNIHWVTTA-UHFFFAOYSA-N
MW2086.51 g/mol
LogP40.66
Rot. Bonds13

About 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

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 (PubChem CID 161391565) has the molecular formula C144H84N8O4S3 and a molecular weight of 2086.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID161391565
Molecular FormulaC144H84N8O4S3
Molecular Weight2086.51 g/mol
Exact Mass2084.58
IUPAC Name8-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
SMILESc1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1
InChIInChI=1S/C52H31N3OS.C46H27N3OS.C46H26N2O2S/c1-4-22-45-40(17-1)41-18-2-5-23-46(41)55(45)38-16-9-13-34(29-38)35-25-26-47-44(30-35)50-51(56-47)49(53-31-54-50)37-15-8-12-33(28-37)32-11-7-14-36(27-32)39-20-10-21-43-42-19-3-6-24-48(42)57-52(39)43;1-4-19-39-34(14-1)35-15-2-5-20-40(35)49(39)32-22-23-41-38(26-32)44-45(50-41)43(47-27-48-44)31-13-8-11-29(25-31)28-10-7-12-30(24-28)33-17-9-18-37-36-16-3-6-21-42(36)51-46(33)37;1-3-19-39-34(13-1)36-17-7-15-32(44(36)49-39)30-21-22-40-38(25-30)43-45(50-40)42(47-26-48-43)31-12-6-10-28(24-31)27-9-5-11-29(23-27)33-16-8-18-37-35-14-2-4-20-41(35)51-46(33)37/h1-31H;1-27H;1-26H
InChIKeyVTBBDRNIHWVTTA-UHFFFAOYSA-N
XLogP40.66
TPSA139.76 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.51
LogP ≤ 540.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485304
4-carbazol-9-yl-8-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291441
4-(3-dibenzothiophen-4-ylphenyl)-8-[3-phenyl-5-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170655080
4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578992
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163814
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-c4cccc5c4oc4ccccc45)cc23)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2ncnc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1.
What is the InChIKey of 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?
The InChIKey is VTBBDRNIHWVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS.C46H27N3OS.C46H26N2O2S/c1-4-22-45-40(17-1)41-18-2-5-23-46(41)55(45)38-16-9-13-34(29-38)35-25-26-47-44(30-35)50-51(56-47)49(53-31-54-50)37-15-8-12-33(28-37)32-11-7-14-36(27-32)39-20-10-21-43-42-19-3-6-24-48(42)57-52(39)43;1-4-19-39-34(14-1)35-15-2-5-20-40(35)49(39)32-22-23-41-38(26-32)44-45(50-41)43(47-27-48-44)31-13-8-11-29(25-31)28-10-7-12-30(24-28)33-17-9-18-37-36-16-3-6-21-42(36)51-46(33)37;1-3-19-39-34(13-1)36-17-7-15-32(44(36)49-39)30-21-22-40-38(25-30)43-45(50-40)42(47-26-48-43)31-12-6-10-28(24-31)27-9-5-11-29(23-27)33-16-8-18-37-35-14-2-4-20-41(35)51-46(33)37/h1-31H;1-27H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 2086.51 g/mol, XLogP of 40.66, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161391565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).