6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

C17H17N — CID 19824115

IUPAC6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESC1=CC2CCC3NC=c4ccccc4=C3C2C=C1
InChIInChI=1S/C17H17N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-8,11-12,14,16,18H,9-10H2
InChIKeyPDAZQNHCZQTHSZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds

About 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (PubChem CID 19824115) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.

Molecular Properties

Compound Name6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
PubChem CID19824115
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESC1=CC2CCC3NC=c4ccccc4=C3C2C=C1
InChIInChI=1S/C17H17N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-8,11-12,14,16,18H,9-10H2
InChIKeyPDAZQNHCZQTHSZ-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine 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 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The IUPAC name of 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (CID 19824115) is 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.
What is the SMILES notation for 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The canonical SMILES for 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is C1=CC2CCC3NC=c4ccccc4=C3C2C=C1.
What is the InChIKey of 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The InChIKey is PDAZQNHCZQTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-8,11-12,14,16,18H,9-10H2.
What are the key properties of 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine has a molecular weight of 235.33 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is sourced from PubChem (CID 19824115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).