6-cyclohexylphenanthridine-8-carbonitrile

C20H18N2 — CID 102531920

IUPAC6-cyclohexylphenanthridine-8-carbonitrile
SMILESN#Cc1ccc2c(c1)c(C1CCCCC1)nc1ccccc12
InChIInChI=1S/C20H18N2/c21-13-14-10-11-16-17-8-4-5-9-19(17)22-20(18(16)12-14)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2
InChIKeyCWLHLCVRCOCQSB-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.31
Rot. Bonds1

About 6-cyclohexylphenanthridine-8-carbonitrile

6-cyclohexylphenanthridine-8-carbonitrile (PubChem CID 102531920) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-cyclohexylphenanthridine-8-carbonitrile.

Molecular Properties

Compound Name6-cyclohexylphenanthridine-8-carbonitrile
PubChem CID102531920
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name6-cyclohexylphenanthridine-8-carbonitrile
SMILESN#Cc1ccc2c(c1)c(C1CCCCC1)nc1ccccc12
InChIInChI=1S/C20H18N2/c21-13-14-10-11-16-17-8-4-5-9-19(17)22-20(18(16)12-14)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2
InChIKeyCWLHLCVRCOCQSB-UHFFFAOYSA-N
XLogP5.31
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylphenanthridine-8-carbonitrile?
The IUPAC name of 6-cyclohexylphenanthridine-8-carbonitrile (CID 102531920) is 6-cyclohexylphenanthridine-8-carbonitrile.
What is the SMILES notation for 6-cyclohexylphenanthridine-8-carbonitrile?
The canonical SMILES for 6-cyclohexylphenanthridine-8-carbonitrile is N#Cc1ccc2c(c1)c(C1CCCCC1)nc1ccccc12.
What is the InChIKey of 6-cyclohexylphenanthridine-8-carbonitrile?
The InChIKey is CWLHLCVRCOCQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-13-14-10-11-16-17-8-4-5-9-19(17)22-20(18(16)12-14)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2.
What are the key properties of 6-cyclohexylphenanthridine-8-carbonitrile?
6-cyclohexylphenanthridine-8-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylphenanthridine-8-carbonitrile is sourced from PubChem (CID 102531920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).