3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

C132H80N10S2 — CID 159027276

IUPAC3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1
InChIInChI=1S/C48H30N4.2C42H25N3S/c49-31-32-12-10-15-34(26-32)35-27-36(44-20-11-19-43(50-44)33-13-2-1-3-14-33)29-38(28-35)52-47-23-9-6-18-41(47)42-30-37(24-25-48(42)52)51-45-21-7-4-16-39(45)40-17-5-8-22-46(40)51;43-26-27-10-8-13-29(20-27)30-21-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)23-32(22-30)45-39-18-6-4-14-33(39)35-25-42-36(24-40(35)45)34-15-5-7-19-41(34)46-42;43-26-27-10-8-13-29(22-27)30-23-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)25-32(24-30)45-39-18-6-4-14-33(39)35-20-21-36-34-15-5-7-19-40(34)46-42(36)41(35)45/h1-30H;2*1-25H
InChIKeyJUKZYCWVZHGDDO-UHFFFAOYSA-N
MW1870.30 g/mol
LogP34.99
Rot. Bonds13

About 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile

3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (PubChem CID 159027276) has the molecular formula C132H80N10S2 and a molecular weight of 1870.30 g/mol. Its IUPAC name is 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
PubChem CID159027276
Molecular FormulaC132H80N10S2
Molecular Weight1870.30 g/mol
Exact Mass1868.60
IUPAC Name3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1
InChIInChI=1S/C48H30N4.2C42H25N3S/c49-31-32-12-10-15-34(26-32)35-27-36(44-20-11-19-43(50-44)33-13-2-1-3-14-33)29-38(28-35)52-47-23-9-6-18-41(47)42-30-37(24-25-48(42)52)51-45-21-7-4-16-39(45)40-17-5-8-22-46(40)51;43-26-27-10-8-13-29(20-27)30-21-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)23-32(22-30)45-39-18-6-4-14-33(39)35-25-42-36(24-40(35)45)34-15-5-7-19-41(34)46-42;43-26-27-10-8-13-29(22-27)30-23-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)25-32(24-30)45-39-18-6-4-14-33(39)35-20-21-36-34-15-5-7-19-40(34)46-42(36)41(35)45/h1-30H;2*1-25H
InChIKeyJUKZYCWVZHGDDO-UHFFFAOYSA-N
XLogP34.99
TPSA129.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.30
LogP ≤ 534.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922299
3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 159560310
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[3-cyano-5-[3-(20-thia-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574956
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922166
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 157341243
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669

Frequently Asked Questions

What is the IUPAC name of 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile (CID 159027276) is 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c2)c1.N#Cc1cccc(-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.
What is the InChIKey of 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
The InChIKey is JUKZYCWVZHGDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.2C42H25N3S/c49-31-32-12-10-15-34(26-32)35-27-36(44-20-11-19-43(50-44)33-13-2-1-3-14-33)29-38(28-35)52-47-23-9-6-18-41(47)42-30-37(24-25-48(42)52)51-45-21-7-4-16-39(45)40-17-5-8-22-46(40)51;43-26-27-10-8-13-29(20-27)30-21-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)23-32(22-30)45-39-18-6-4-14-33(39)35-25-42-36(24-40(35)45)34-15-5-7-19-41(34)46-42;43-26-27-10-8-13-29(22-27)30-23-31(38-17-9-16-37(44-38)28-11-2-1-3-12-28)25-32(24-30)45-39-18-6-4-14-33(39)35-20-21-36-34-15-5-7-19-40(34)46-42(36)41(35)45/h1-30H;2*1-25H.
What are the key properties of 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile?
3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile has a molecular weight of 1870.30 g/mol, XLogP of 34.99, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile;3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 159027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).