2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile

C29H19N3 — CID 140705041

IUPAC2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C29H19N3/c1-29(2)23-12-6-4-10-19(23)21-16-27-22(15-24(21)29)20-11-5-7-14-26(20)32(27)28-18(17-30)9-8-13-25(28)31-3/h4-16H,1-2H3
InChIKeyWZHXZNVZIKVVTI-UHFFFAOYSA-N
MW409.49 g/mol
LogP7.51
Rot. Bonds1

About 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile

2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile (PubChem CID 140705041) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
PubChem CID140705041
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C
InChIInChI=1S/C29H19N3/c1-29(2)23-12-6-4-10-19(23)21-16-27-22(15-24(21)29)20-11-5-7-14-26(20)32(27)28-18(17-30)9-8-13-25(28)31-3/h4-16H,1-2H3
InChIKeyWZHXZNVZIKVVTI-UHFFFAOYSA-N
XLogP7.51
TPSA33.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 140704996
3-carbazol-9-yl-5-isocyano-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)benzonitrile
CID 153462312
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylphenyl)-3-isocyanobenzonitrile
CID 140705031
5-[2-isocyano-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 140704997
2-[3-[9-(2-cyano-6-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140720967
5-(2-carbazol-9-yl-3,4-diisocyanophenyl)-2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzonitrile
CID 140794049
2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile
CID 140794030
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
2-carbazol-9-yl-5-(19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-4-isocyanobenzonitrile
CID 153462626
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-5-isocyano-1-methylimidazole-4-carbonitrile
CID 87412124
15-(2-carbazol-9-yl-4,6-diisocyanophenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 153462691
3-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462160

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile (CID 140705041) is 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(C)C.
What is the InChIKey of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
The InChIKey is WZHXZNVZIKVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c1-29(2)23-12-6-4-10-19(23)21-16-27-22(15-24(21)29)20-11-5-7-14-26(20)32(27)28-18(17-30)9-8-13-25(28)31-3/h4-16H,1-2H3.
What are the key properties of 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile?
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile has a molecular weight of 409.49 g/mol, XLogP of 7.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 140705041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).