9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole

C48H29NOS — CID 146532883

IUPAC9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C48H29NOS/c1-3-11-30(12-4-1)32-21-24-43-40(27-32)41-28-33(31-13-5-2-6-14-31)22-25-44(41)49(43)34-23-26-45-42(29-34)37-17-9-16-36(47(37)50-45)39-19-10-18-38-35-15-7-8-20-46(35)51-48(38)39/h1-29H
InChIKeyHDFRERQJUKBGNF-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.05
Rot. Bonds4

About 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole

9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole (PubChem CID 146532883) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
PubChem CID146532883
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC Name9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C48H29NOS/c1-3-11-30(12-4-1)32-21-24-43-40(27-32)41-28-33(31-13-5-2-6-14-31)22-25-44(41)49(43)34-23-26-45-42(29-34)37-17-9-16-36(47(37)50-45)39-19-10-18-38-35-15-7-8-20-46(35)51-48(38)39/h1-29H
InChIKeyHDFRERQJUKBGNF-UHFFFAOYSA-N
XLogP14.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
12-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-9-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 146533258
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole
CID 156626565
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
CID 158556744
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799

Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole (CID 146532883) is 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3oc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole?
The InChIKey is HDFRERQJUKBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-3-11-30(12-4-1)32-21-24-43-40(27-32)41-28-33(31-13-5-2-6-14-31)22-25-44(41)49(43)34-23-26-45-42(29-34)37-17-9-16-36(47(37)50-45)39-19-10-18-38-35-15-7-8-20-46(35)51-48(38)39/h1-29H.
What are the key properties of 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole?
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole has a molecular weight of 667.83 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 146532883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).