benzo[f]indole-1-carbonitrile

C13H8N2 — CID 101012602

IUPACbenzo[f]indole-1-carbonitrile
SMILESN#Cn1ccc2cc3ccccc3cc21
InChIInChI=1S/C13H8N2/c14-9-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)15/h1-8H
InChIKeyJQHXHDGDXISCLA-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.12
Rot. Bonds

About benzo[f]indole-1-carbonitrile

benzo[f]indole-1-carbonitrile (PubChem CID 101012602) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is benzo[f]indole-1-carbonitrile.

Molecular Properties

Compound Namebenzo[f]indole-1-carbonitrile
PubChem CID101012602
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Namebenzo[f]indole-1-carbonitrile
SMILESN#Cn1ccc2cc3ccccc3cc21
InChIInChI=1S/C13H8N2/c14-9-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)15/h1-8H
InChIKeyJQHXHDGDXISCLA-UHFFFAOYSA-N
XLogP3.12
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzo[f]indole-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylindole-1-carbonitrile
CID 21484747
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
naphthalene-2,3-dicarbonitrile
CID 601270
anthracene;benzene;naphthalene
CID 142706236
sodium;anthracene;hydride
CID 173035649
gold;pentacene
CID 162013118
10-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene-13,14-dicarbonitrile
CID 139436396
tetrakis(methanediimine);tetracene
CID 175029829

Frequently Asked Questions

What is the IUPAC name of benzo[f]indole-1-carbonitrile?
The IUPAC name of benzo[f]indole-1-carbonitrile (CID 101012602) is benzo[f]indole-1-carbonitrile.
What is the SMILES notation for benzo[f]indole-1-carbonitrile?
The canonical SMILES for benzo[f]indole-1-carbonitrile is N#Cn1ccc2cc3ccccc3cc21.
What is the InChIKey of benzo[f]indole-1-carbonitrile?
The InChIKey is JQHXHDGDXISCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-9-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)15/h1-8H.
What are the key properties of benzo[f]indole-1-carbonitrile?
benzo[f]indole-1-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]indole-1-carbonitrile is sourced from PubChem (CID 101012602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).