2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile

C161H94N10OS4 — CID 159772841

IUPAC2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2oc3ccccc3c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2sc3ccccc3c2c1.N#Cc1cccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c12.N#Cc1ccccc1-c1ccc2sc3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C37H22N2S.C31H18N2O.3C31H18N2S/c38-23-26-9-1-2-10-27(26)24-17-19-36-31(21-24)32-22-25(18-20-37(32)40-36)28-11-3-6-14-33(28)39-34-15-7-4-12-29(34)30-13-5-8-16-35(30)39;2*32-19-21-8-7-14-28-31(21)24-11-2-5-13-27(24)33(28)26-12-4-1-9-22(26)20-16-17-30-25(18-20)23-10-3-6-15-29(23)34-30;32-19-21-8-7-12-25-23-10-2-5-14-28(23)33(31(21)25)27-13-4-1-9-22(27)20-16-17-30-26(18-20)24-11-3-6-15-29(24)34-30;32-19-20-13-15-24-23-8-2-5-11-28(23)33(29(24)17-20)27-10-4-1-7-22(27)21-14-16-31-26(18-21)25-9-3-6-12-30(25)34-31/h1-22H;4*1-18H
InChIKeyNGIPDEZBUCABIV-UHFFFAOYSA-N
MW2312.86 g/mol
LogP44.65
Rot. Bonds11

About 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile

2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile (PubChem CID 159772841) has the molecular formula C161H94N10OS4 and a molecular weight of 2312.86 g/mol. Its IUPAC name is 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile.

Molecular Properties

Compound Name2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
PubChem CID159772841
Molecular FormulaC161H94N10OS4
Molecular Weight2312.86 g/mol
Exact Mass2310.65
IUPAC Name2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2oc3ccccc3c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2sc3ccccc3c2c1.N#Cc1cccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c12.N#Cc1ccccc1-c1ccc2sc3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C37H22N2S.C31H18N2O.3C31H18N2S/c38-23-26-9-1-2-10-27(26)24-17-19-36-31(21-24)32-22-25(18-20-37(32)40-36)28-11-3-6-14-33(28)39-34-15-7-4-12-29(34)30-13-5-8-16-35(30)39;2*32-19-21-8-7-14-28-31(21)24-11-2-5-13-27(24)33(28)26-12-4-1-9-22(26)20-16-17-30-25(18-20)23-10-3-6-15-29(23)34-30;32-19-21-8-7-12-25-23-10-2-5-14-28(23)33(31(21)25)27-13-4-1-9-22(27)20-16-17-30-26(18-20)24-11-3-6-15-29(24)34-30;32-19-20-13-15-24-23-8-2-5-11-28(23)33(29(24)17-20)27-10-4-1-7-22(27)21-14-16-31-26(18-21)25-9-3-6-12-30(25)34-31/h1-22H;4*1-18H
InChIKeyNGIPDEZBUCABIV-UHFFFAOYSA-N
XLogP44.65
TPSA156.74 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.86
LogP ≤ 544.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile with MolForge

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Related Compounds

6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)benzonitrile;2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-3-yl]benzonitrile;3-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-3-yl]benzonitrile;4-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-3-yl]benzonitrile;9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]carbazole-1-carbonitrile;9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]carbazole-2-carbonitrile;9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]carbazole-3-carbonitrile;9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]carbazole-4-carbonitrile
CID 165027045
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile
CID 126577735
9-(9-dibenzofuran-2-yl-6-phenyldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 147486433
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
6-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 139339988
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
18-(2-carbazol-9-ylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-6-carbonitrile
CID 126582417
2-carbazol-9-yl-3-(3-cyano-4-dibenzothiophen-2-ylphenyl)benzonitrile;2-carbazol-9-yl-3-(4-dibenzothiophen-2-ylphenyl)benzonitrile;5-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile;9-[2-cyano-6-(4-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 158583627
9-(6-cyano-8-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 146810331

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile?
The IUPAC name of 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile (CID 159772841) is 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile.
What is the SMILES notation for 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile?
The canonical SMILES for 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2oc3ccccc3c2c1.N#Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccc2sc3ccccc3c2c1.N#Cc1cccc2c3ccccc3n(-c3ccccc3-c3ccc4sc5ccccc5c4c3)c12.N#Cc1ccccc1-c1ccc2sc3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile?
The InChIKey is NGIPDEZBUCABIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2S.C31H18N2O.3C31H18N2S/c38-23-26-9-1-2-10-27(26)24-17-19-36-31(21-24)32-22-25(18-20-37(32)40-36)28-11-3-6-14-33(28)39-34-15-7-4-12-29(34)30-13-5-8-16-35(30)39;2*32-19-21-8-7-14-28-31(21)24-11-2-5-13-27(24)33(28)26-12-4-1-9-22(26)20-16-17-30-25(18-20)23-10-3-6-15-29(23)34-30;32-19-21-8-7-12-25-23-10-2-5-14-28(23)33(31(21)25)27-13-4-1-9-22(27)20-16-17-30-26(18-20)24-11-3-6-15-29(24)34-30;32-19-20-13-15-24-23-8-2-5-11-28(23)33(29(24)17-20)27-10-4-1-7-22(27)21-14-16-31-26(18-21)25-9-3-6-12-30(25)34-31/h1-22H;4*1-18H.
What are the key properties of 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile?
2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile has a molecular weight of 2312.86 g/mol, XLogP of 44.65, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile is sourced from PubChem (CID 159772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).