2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile

C32H16FN3O — CID 129300462

IUPAC2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cccc(C#N)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1F
InChIInChI=1S/C32H16FN3O/c33-30-19(17-34)7-5-11-22(30)23-12-6-8-20(18-35)31(23)36-26-13-3-1-10-25(26)29-27(36)16-15-24-21-9-2-4-14-28(21)37-32(24)29/h1-16H
InChIKeyWSKGXXOSSKPXOT-UHFFFAOYSA-N
MW477.50 g/mol
LogP8.23
Rot. Bonds2

About 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile (PubChem CID 129300462) has the molecular formula C32H16FN3O and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile
PubChem CID129300462
Molecular FormulaC32H16FN3O
Molecular Weight477.50 g/mol
Exact Mass477.13
IUPAC Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cccc(C#N)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1F
InChIInChI=1S/C32H16FN3O/c33-30-19(17-34)7-5-11-22(30)23-12-6-8-20(18-35)31(23)36-26-13-3-1-10-25(26)29-27(36)16-15-24-21-9-2-4-14-28(21)37-32(24)29/h1-16H
InChIKeyWSKGXXOSSKPXOT-UHFFFAOYSA-N
XLogP8.23
TPSA65.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile?
The IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile (CID 129300462) is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile.
What is the SMILES notation for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile?
The canonical SMILES for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile is N#Cc1cccc(-c2cccc(C#N)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1F.
What is the InChIKey of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile?
The InChIKey is WSKGXXOSSKPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16FN3O/c33-30-19(17-34)7-5-11-22(30)23-12-6-8-20(18-35)31(23)36-26-13-3-1-10-25(26)29-27(36)16-15-24-21-9-2-4-14-28(21)37-32(24)29/h1-16H.
What are the key properties of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile?
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile has a molecular weight of 477.50 g/mol, XLogP of 8.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(3-cyano-2-fluorophenyl)benzonitrile is sourced from PubChem (CID 129300462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).