9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole

C46H28N2OS — CID 71278013

IUPAC9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole
SMILESc1coc(-c2cc(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C46H28N2OS/c1-5-14-40-34(10-1)35-11-2-6-15-41(35)47(40)32-20-22-46-39(28-32)38-27-29(19-21-45(38)50-46)30-24-31(44-18-9-23-49-44)26-33(25-30)48-42-16-7-3-12-36(42)37-13-4-8-17-43(37)48/h1-28H
InChIKeyFHQAXMRRAZFDOI-UHFFFAOYSA-N
MW656.81 g/mol
LogP13.18
Rot. Bonds4

About 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole

9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole (PubChem CID 71278013) has the molecular formula C46H28N2OS and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole
PubChem CID71278013
Molecular FormulaC46H28N2OS
Molecular Weight656.81 g/mol
Exact Mass656.19
IUPAC Name9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole
SMILESc1coc(-c2cc(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C46H28N2OS/c1-5-14-40-34(10-1)35-11-2-6-15-41(35)47(40)32-20-22-46-39(28-32)38-27-29(19-21-45(38)50-46)30-24-31(44-18-9-23-49-44)26-33(25-30)48-42-16-7-3-12-36(42)37-13-4-8-17-43(37)48/h1-28H
InChIKeyFHQAXMRRAZFDOI-UHFFFAOYSA-N
XLogP13.18
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
N-dibenzofuran-1-yl-N-dibenzothiophen-2-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138716830
N-dibenzothiophen-2-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716967
N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716968
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
CID 163847508
9-[8-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole
CID 163895964

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole (CID 71278013) is 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole is c1coc(-c2cc(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole?
The InChIKey is FHQAXMRRAZFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS/c1-5-14-40-34(10-1)35-11-2-6-15-41(35)47(40)32-20-22-46-39(28-32)38-27-29(19-21-45(38)50-46)30-24-31(44-18-9-23-49-44)26-33(25-30)48-42-16-7-3-12-36(42)37-13-4-8-17-43(37)48/h1-28H.
What are the key properties of 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole?
9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole has a molecular weight of 656.81 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-5-(furan-2-yl)phenyl]carbazole is sourced from PubChem (CID 71278013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).