9-(4-isocyanophenyl)carbazole-4-carbonitrile

C20H11N3 — CID 164818731

IUPAC9-(4-isocyanophenyl)carbazole-4-carbonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1
InChIInChI=1S/C20H11N3/c1-22-15-9-11-16(12-10-15)23-18-7-3-2-6-17(18)20-14(13-21)5-4-8-19(20)23/h2-12H
InChIKeyFLOUNWSECGRQBV-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.21
Rot. Bonds1

About 9-(4-isocyanophenyl)carbazole-4-carbonitrile

9-(4-isocyanophenyl)carbazole-4-carbonitrile (PubChem CID 164818731) has the molecular formula C20H11N3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 9-(4-isocyanophenyl)carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-(4-isocyanophenyl)carbazole-4-carbonitrile
PubChem CID164818731
Molecular FormulaC20H11N3
Molecular Weight293.33 g/mol
Exact Mass293.10
IUPAC Name9-(4-isocyanophenyl)carbazole-4-carbonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1
InChIInChI=1S/C20H11N3/c1-22-15-9-11-16(12-10-15)23-18-7-3-2-6-17(18)20-14(13-21)5-4-8-19(20)23/h2-12H
InChIKeyFLOUNWSECGRQBV-UHFFFAOYSA-N
XLogP5.21
TPSA33.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.21
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

9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
CID 155605095
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile
CID 155603569
9-[3-[4-[2-(4-cyanocarbazol-9-yl)-4-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603548
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
CID 159281399
2-(4-carbazol-9-ylphenyl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155603947
3-(2-carbazol-9-ylphenyl)-2-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604462
2-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 166504107
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-(4-isocyanophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166592078
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854

Frequently Asked Questions

What is the IUPAC name of 9-(4-isocyanophenyl)carbazole-4-carbonitrile?
The IUPAC name of 9-(4-isocyanophenyl)carbazole-4-carbonitrile (CID 164818731) is 9-(4-isocyanophenyl)carbazole-4-carbonitrile.
What is the SMILES notation for 9-(4-isocyanophenyl)carbazole-4-carbonitrile?
The canonical SMILES for 9-(4-isocyanophenyl)carbazole-4-carbonitrile is [C-]#[N+]c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1.
What is the InChIKey of 9-(4-isocyanophenyl)carbazole-4-carbonitrile?
The InChIKey is FLOUNWSECGRQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3/c1-22-15-9-11-16(12-10-15)23-18-7-3-2-6-17(18)20-14(13-21)5-4-8-19(20)23/h2-12H.
What are the key properties of 9-(4-isocyanophenyl)carbazole-4-carbonitrile?
9-(4-isocyanophenyl)carbazole-4-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-isocyanophenyl)carbazole-4-carbonitrile is sourced from PubChem (CID 164818731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).