5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile

C55H32N4S — CID 175634748

IUPAC5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C55H32N4S/c56-33-34-30-36(58-47-23-9-3-16-39(47)40-17-4-10-24-48(40)58)32-51(54(34)43-20-13-27-53-55(43)42-19-6-12-26-52(42)60-53)59-49-25-11-5-18-41(49)44-31-35(28-29-50(44)59)57-45-21-7-1-14-37(45)38-15-2-8-22-46(38)57/h1-32H
InChIKeyMMEOUMNDUMHMSD-UHFFFAOYSA-N
MW780.96 g/mol
LogP14.88
Rot. Bonds4

About 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile

5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile (PubChem CID 175634748) has the molecular formula C55H32N4S and a molecular weight of 780.96 g/mol. Its IUPAC name is 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
PubChem CID175634748
Molecular FormulaC55H32N4S
Molecular Weight780.96 g/mol
Exact Mass780.23
IUPAC Name5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cccc2sc3ccccc3c12
InChIInChI=1S/C55H32N4S/c56-33-34-30-36(58-47-23-9-3-16-39(47)40-17-4-10-24-48(40)58)32-51(54(34)43-20-13-27-53-55(43)42-19-6-12-26-52(42)60-53)59-49-25-11-5-18-41(49)44-31-35(28-29-50(44)59)57-45-21-7-1-14-37(45)38-15-2-8-22-46(38)57/h1-32H
InChIKeyMMEOUMNDUMHMSD-UHFFFAOYSA-N
XLogP14.88
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.96
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
9-[3-[3-(3-cyanophenyl)-2-dibenzothiophen-1-ylphenyl]phenyl]carbazole-3-carbonitrile
CID 154963049
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
2-(9-carbazol-9-yl-[1]benzothiolo[2,3-b]carbazol-7-yl)-5-(10-carbazol-9-yl-[1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328548
9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
CID 118396582
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
6-(3-carbazol-9-ylcarbazol-9-yl)-2,3-di(dibenzothiophen-4-yl)benzonitrile
CID 175635240
2-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 126734566
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole
CID 139407574

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile?
The IUPAC name of 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile (CID 175634748) is 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile.
What is the SMILES notation for 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile?
The canonical SMILES for 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1cccc2sc3ccccc3c12.
What is the InChIKey of 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile?
The InChIKey is MMEOUMNDUMHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4S/c56-33-34-30-36(58-47-23-9-3-16-39(47)40-17-4-10-24-48(40)58)32-51(54(34)43-20-13-27-53-55(43)42-19-6-12-26-52(42)60-53)59-49-25-11-5-18-41(49)44-31-35(28-29-50(44)59)57-45-21-7-1-14-37(45)38-15-2-8-22-46(38)57/h1-32H.
What are the key properties of 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile?
5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile has a molecular weight of 780.96 g/mol, XLogP of 14.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile is sourced from PubChem (CID 175634748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).