3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

C47H30N4 — CID 129290978

IUPAC3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(C#N)cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C47H30N4/c1-47(2)40-15-7-3-11-35(40)38-19-20-44-45(46(38)47)39-14-6-10-18-43(39)51(44)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-41-16-8-4-12-36(41)37-13-5-9-17-42(37)50/h3-26H,1-2H3
InChIKeyWMWSWMATKWHRLW-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.60
Rot. Bonds3

About 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile

3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (PubChem CID 129290978) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
PubChem CID129290978
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(C#N)cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C47H30N4/c1-47(2)40-15-7-3-11-35(40)38-19-20-44-45(46(38)47)39-14-6-10-18-43(39)51(44)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-41-16-8-4-12-36(41)37-13-5-9-17-42(37)50/h3-26H,1-2H3
InChIKeyWMWSWMATKWHRLW-UHFFFAOYSA-N
XLogP11.60
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543164
3,5-bis(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572260
4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543402
9-[3-(2-isocyano-12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]carbazole-3-carbonitrile
CID 140822973
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 135264715
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
3-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495884
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958469
2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
CID 118927776

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile (CID 129290978) is 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(C#N)cc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is WMWSWMATKWHRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-47(2)40-15-7-3-11-35(40)38-19-20-44-45(46(38)47)39-14-6-10-18-43(39)51(44)34-24-30(28-49)22-32(26-34)31-21-29(27-48)23-33(25-31)50-41-16-8-4-12-36(41)37-13-5-9-17-42(37)50/h3-26H,1-2H3.
What are the key properties of 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile?
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 650.79 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 129290978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).