About 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole (PubChem CID 157150398) has the molecular formula C117H69N9OS4
and a molecular weight of 1745.17 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole.
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Frequently Asked Questions
What is the IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole (CID 157150398) is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4sc5ccccc5c4c3)nc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(c2)sc2ccccc23)c2c(n1)oc1ccccc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c(c2)sc2ccccc23)c2c(n1)sc1ccccc12.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The InChIKey is ALENQZXNRDIUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3S.C38H21N3OS.C38H21N3S2/c1-41(2)32-16-8-5-15-29(32)37-38(41)42-39(26-19-20-36-31(22-26)28-14-7-10-18-35(28)45-36)43-40(37)44-33-17-9-6-13-27(33)30-21-24-11-3-4-12-25(24)23-34(30)44;1-2-10-23-20-31-29(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-39-36(35-28-13-4-7-15-32(28)42-37(35)40-38)24-17-18-27-26-12-5-8-16-33(26)43-34(27)21-24;1-2-10-23-20-31-29(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-39-36(35-28-13-5-8-16-33(28)43-37(35)40-38)24-17-18-27-26-12-4-7-15-32(26)42-34(27)21-24/h3-23H,1-2H3;2*1-21H.
What are the key properties of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole has a molecular weight of 1745.17 g/mol, XLogP of 32.86, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 157150398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).