2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C196H112N24O4S4 — CID 159465675

IUPAC2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/4C49H28N6OS/c1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-47(50-42)35-23-14-27-39-41(35)34-22-13-24-36(44(34)56-39)48-52-46(30-17-5-2-6-18-30)53-49(54-48)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;2*1-3-14-29(15-4-1)42-45-43(36-20-9-12-25-41(36)57-45)51-47(50-42)31-26-27-34-35-21-13-22-37(44(35)56-40(34)28-31)48-52-46(30-16-5-2-6-17-30)53-49(54-48)55-38-23-10-7-18-32(38)33-19-8-11-24-39(33)55;1-3-14-29(15-4-1)43-45-44(35-20-9-12-25-41(35)57-45)51-48(50-43)36-21-13-24-39-42(36)34-27-26-31(28-40(34)56-39)47-52-46(30-16-5-2-6-17-30)53-49(54-47)55-37-22-10-7-18-32(37)33-19-8-11-23-38(33)55/h4*1-28H
InChIKeyLVDMCZUJPYZKID-UHFFFAOYSA-N
MW2995.48 g/mol
LogP50.78
Rot. Bonds20

About 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine

2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159465675) has the molecular formula C196H112N24O4S4 and a molecular weight of 2995.48 g/mol. Its IUPAC name is 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159465675
Molecular FormulaC196H112N24O4S4
Molecular Weight2995.48 g/mol
Exact Mass2992.82
IUPAC Name2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/4C49H28N6OS/c1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-47(50-42)35-23-14-27-39-41(35)34-22-13-24-36(44(34)56-39)48-52-46(30-17-5-2-6-18-30)53-49(54-48)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;2*1-3-14-29(15-4-1)42-45-43(36-20-9-12-25-41(36)57-45)51-47(50-42)31-26-27-34-35-21-13-22-37(44(35)56-40(34)28-31)48-52-46(30-16-5-2-6-17-30)53-49(54-48)55-38-23-10-7-18-32(38)33-19-8-11-24-39(33)55;1-3-14-29(15-4-1)43-45-44(35-20-9-12-25-41(35)57-45)51-48(50-43)36-21-13-24-39-42(36)34-27-26-31(28-40(34)56-39)47-52-46(30-16-5-2-6-17-30)53-49(54-47)55-37-22-10-7-18-32(37)33-19-8-11-23-38(33)55/h4*1-28H
InChIKeyLVDMCZUJPYZKID-UHFFFAOYSA-N
XLogP50.78
TPSA330.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.48
LogP ≤ 550.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978542
4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149190181
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978299
2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 161346822
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;9-[4-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 159968562
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978273
2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157442670
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978573
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152811481
4-phenyl-2-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154978377
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155050032
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142519706

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 159465675) is 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)ccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is LVDMCZUJPYZKID-UHFFFAOYSA-N. The full InChI is InChI=1S/4C49H28N6OS/c1-3-15-29(16-4-1)42-45-43(33-21-9-12-28-40(33)57-45)51-47(50-42)35-23-14-27-39-41(35)34-22-13-24-36(44(34)56-39)48-52-46(30-17-5-2-6-18-30)53-49(54-48)55-37-25-10-7-19-31(37)32-20-8-11-26-38(32)55;2*1-3-14-29(15-4-1)42-45-43(36-20-9-12-25-41(36)57-45)51-47(50-42)31-26-27-34-35-21-13-22-37(44(35)56-40(34)28-31)48-52-46(30-16-5-2-6-17-30)53-49(54-48)55-38-23-10-7-18-32(38)33-19-8-11-24-39(33)55;1-3-14-29(15-4-1)43-45-44(35-20-9-12-25-41(35)57-45)51-48(50-43)36-21-13-24-39-42(36)34-27-26-31(28-40(34)56-39)47-52-46(30-16-5-2-6-17-30)53-49(54-47)55-37-22-10-7-18-32(37)33-19-8-11-23-38(33)55/h4*1-28H.
What are the key properties of 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2995.48 g/mol, XLogP of 50.78, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159465675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).