2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

C111H64N10S — CID 146602391

IUPAC2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5ccc5c6c6cc(-n7c8ccccc8c8ccccc87)ccc6n5-c5cc(C#N)c(-n6c7ccccc7c7ccc8sc9ccccc9c8c76)cc5C#N)cc4)cc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C111H64N10S/c1-111(2)90-33-14-8-25-78(90)86-60-104-87(59-91(86)111)82-29-12-17-36-94(82)120(104)102-54-67(61-112)100(53-68(102)62-113)118-96-49-44-73(57-88(96)107-76-24-7-6-21-65(76)41-48-98(107)118)116(71-22-4-3-5-23-71)72-42-39-66(40-43-72)75-31-20-32-83-77(75)46-51-99-108(83)89-58-74(117-92-34-15-9-26-79(92)80-27-10-16-35-93(80)117)45-50-97(89)119(99)101-55-70(64-115)103(56-69(101)63-114)121-95-37-18-11-28-81(95)84-47-52-106-109(110(84)121)85-30-13-19-38-105(85)122-106/h3-60H,1-2H3
InChIKeyZBYRFAXTUABRGF-UHFFFAOYSA-N
MW1569.87 g/mol
LogP28.78
Rot. Bonds9

About 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 146602391) has the molecular formula C111H64N10S and a molecular weight of 1569.87 g/mol. Its IUPAC name is 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID146602391
Molecular FormulaC111H64N10S
Molecular Weight1569.87 g/mol
Exact Mass1568.50
IUPAC Name2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5ccc5c6c6cc(-n7c8ccccc8c8ccccc87)ccc6n5-c5cc(C#N)c(-n6c7ccccc7c7ccc8sc9ccccc9c8c76)cc5C#N)cc4)cc3c3c4ccccc4ccc32)cc1C#N
InChIInChI=1S/C111H64N10S/c1-111(2)90-33-14-8-25-78(90)86-60-104-87(59-91(86)111)82-29-12-17-36-94(82)120(104)102-54-67(61-112)100(53-68(102)62-113)118-96-49-44-73(57-88(96)107-76-24-7-6-21-65(76)41-48-98(107)118)116(71-22-4-3-5-23-71)72-42-39-66(40-43-72)75-31-20-32-83-77(75)46-51-99-108(83)89-58-74(117-92-34-15-9-26-79(92)80-27-10-16-35-93(80)117)45-50-97(89)119(99)101-55-70(64-115)103(56-69(101)63-114)121-95-37-18-11-28-81(95)84-47-52-106-109(110(84)121)85-30-13-19-38-105(85)122-106/h3-60H,1-2H3
InChIKeyZBYRFAXTUABRGF-UHFFFAOYSA-N
XLogP28.78
TPSA123.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.87
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329269
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328849
2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)indeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
CID 121328868
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
5-(4-dibenzothiophen-2-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole;6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N,N,9-triphenylcarbazol-3-amine;5'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 161353306
5-(21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-21-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;5-benzo[c]carbazol-7-yl-2-(10-dibenzothiophen-2-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[10-(9-phenylcarbazol-2-yl)benzo[c]carbazol-7-yl]benzonitrile
CID 159669911
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
12-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole
CID 157483474
5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462131
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328701
20-carbazol-9-yl-24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;N-(9,9-dimethylfluoren-2-yl)-N,24-dinaphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;N,N-diphenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine;24-naphthalen-2-yl-N,N-bis(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 158204100

Frequently Asked Questions

What is the IUPAC name of 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (CID 146602391) is 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5ccc5c6c6cc(-n7c8ccccc8c8ccccc87)ccc6n5-c5cc(C#N)c(-n6c7ccccc7c7ccc8sc9ccccc9c8c76)cc5C#N)cc4)cc3c3c4ccccc4ccc32)cc1C#N.
What is the InChIKey of 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is ZBYRFAXTUABRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H64N10S/c1-111(2)90-33-14-8-25-78(90)86-60-104-87(59-91(86)111)82-29-12-17-36-94(82)120(104)102-54-67(61-112)100(53-68(102)62-113)118-96-49-44-73(57-88(96)107-76-24-7-6-21-65(76)41-48-98(107)118)116(71-22-4-3-5-23-71)72-42-39-66(40-43-72)75-31-20-32-83-77(75)46-51-99-108(83)89-58-74(117-92-34-15-9-26-79(92)80-27-10-16-35-93(80)117)45-50-97(89)119(99)101-55-70(64-115)103(56-69(101)63-114)121-95-37-18-11-28-81(95)84-47-52-106-109(110(84)121)85-30-13-19-38-105(85)122-106/h3-60H,1-2H3.
What are the key properties of 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 1569.87 g/mol, XLogP of 28.78, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(N-[4-[7-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2,5-dicyanophenyl]-10-carbazol-9-ylbenzo[c]carbazol-4-yl]phenyl]anilino)benzo[c]carbazol-7-yl]-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 146602391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).