4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile

C32H17FN4 — CID 140701568

IUPAC4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1F
InChIInChI=1S/C32H17FN4/c1-35-32-30(37-27-16-8-4-12-22(27)23-13-5-9-17-28(23)37)18-29(24(19-34)31(32)33)36-25-14-6-2-10-20(25)21-11-3-7-15-26(21)36/h2-18H
InChIKeyIYEWAZGZXPRUHP-UHFFFAOYSA-N
MW476.51 g/mol
LogP8.44
Rot. Bonds2

About 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile

4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile (PubChem CID 140701568) has the molecular formula C32H17FN4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile.

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile
PubChem CID140701568
Molecular FormulaC32H17FN4
Molecular Weight476.51 g/mol
Exact Mass476.14
IUPAC Name4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1F
InChIInChI=1S/C32H17FN4/c1-35-32-30(37-27-16-8-4-12-22(27)23-13-5-9-17-28(23)37)18-29(24(19-34)31(32)33)36-25-14-6-2-10-20(25)21-11-3-7-15-26(21)36/h2-18H
InChIKeyIYEWAZGZXPRUHP-UHFFFAOYSA-N
XLogP8.44
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-isocyano-2,4,6-tris(1,2,3,4-tetradeuteriocarbazol-9-yl)benzonitrile
CID 164927520
2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile;2,4,6-tri(carbazol-9-yl)-3-isocyanobenzonitrile;2,3,4-tri(carbazol-9-yl)-5-isocyano-6-phenylbenzonitrile
CID 164971729
2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 146739965
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile
CID 139507239
2,3,4,5-tetra(carbazol-9-yl)-6-isocyanobenzonitrile;2,3,4,5-tetrakis(3,6-dimethylcarbazol-9-yl)-6-isocyanobenzonitrile;2,4,6-tris(3,6-diphenylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 157429553
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
2,3,4-tri(carbazol-9-yl)-5-isocyano-6-methylbenzonitrile
CID 162506202
2-fluoro-3-isocyano-4-spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-ylbenzonitrile
CID 140701449
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
4-benzo[b]carbazol-5-yl-2-carbazol-9-yl-5-isocyanobenzonitrile
CID 153462231
4,5-di(carbazol-9-yl)-2-isocyano-3,6-diphenylbenzonitrile
CID 170652188
2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
CID 146406018

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile?
The IUPAC name of 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile (CID 140701568) is 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile.
What is the SMILES notation for 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile?
The canonical SMILES for 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile is [C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1F.
What is the InChIKey of 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile?
The InChIKey is IYEWAZGZXPRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17FN4/c1-35-32-30(37-27-16-8-4-12-22(27)23-13-5-9-17-28(23)37)18-29(24(19-34)31(32)33)36-25-14-6-2-10-20(25)21-11-3-7-15-26(21)36/h2-18H.
What are the key properties of 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile?
4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile has a molecular weight of 476.51 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(carbazol-9-yl)-2-fluoro-3-isocyanobenzonitrile is sourced from PubChem (CID 140701568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).