furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile

C23H19NO — CID 174853347

IUPACfuran;1,2,3,4-tetrahydrochrysene-3-carbonitrile
SMILESN#CC1CCc2ccc3c(ccc4ccccc43)c2C1.c1ccoc1
InChIInChI=1S/C19H15N.C4H4O/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13;1-2-4-5-3-1/h1-4,7-10,13H,5-6,11H2;1-4H
InChIKeyAMDCUFFTFVWYMQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.90
Rot. Bonds

About furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile

furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile (PubChem CID 174853347) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile.

Molecular Properties

Compound Namefuran;1,2,3,4-tetrahydrochrysene-3-carbonitrile
PubChem CID174853347
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Namefuran;1,2,3,4-tetrahydrochrysene-3-carbonitrile
SMILESN#CC1CCc2ccc3c(ccc4ccccc43)c2C1.c1ccoc1
InChIInChI=1S/C19H15N.C4H4O/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13;1-2-4-5-3-1/h1-4,7-10,13H,5-6,11H2;1-4H
InChIKeyAMDCUFFTFVWYMQ-UHFFFAOYSA-N
XLogP5.90
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile?
The IUPAC name of furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile (CID 174853347) is furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile.
What is the SMILES notation for furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile?
The canonical SMILES for furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile is N#CC1CCc2ccc3c(ccc4ccccc43)c2C1.c1ccoc1.
What is the InChIKey of furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile?
The InChIKey is AMDCUFFTFVWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C4H4O/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13;1-2-4-5-3-1/h1-4,7-10,13H,5-6,11H2;1-4H.
What are the key properties of furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile?
furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile has a molecular weight of 325.41 g/mol, XLogP of 5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile is sourced from PubChem (CID 174853347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).