6,12a-dihydrobenzo[a]phenanthridine

C17H13N — CID 88502559

IUPAC6,12a-dihydrobenzo[a]phenanthridine
SMILESC1=CC2=CC=C3NC=c4ccccc4=C3C2C=C1
InChIInChI=1S/C17H13N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-11,14,18H
InChIKeyBHXHAOFLNOISPM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds

About 6,12a-dihydrobenzo[a]phenanthridine

6,12a-dihydrobenzo[a]phenanthridine (PubChem CID 88502559) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 6,12a-dihydrobenzo[a]phenanthridine.

Molecular Properties

Compound Name6,12a-dihydrobenzo[a]phenanthridine
PubChem CID88502559
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name6,12a-dihydrobenzo[a]phenanthridine
SMILESC1=CC2=CC=C3NC=c4ccccc4=C3C2C=C1
InChIInChI=1S/C17H13N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-11,14,18H
InChIKeyBHXHAOFLNOISPM-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,12a-dihydrobenzo[a]phenanthridine?
The IUPAC name of 6,12a-dihydrobenzo[a]phenanthridine (CID 88502559) is 6,12a-dihydrobenzo[a]phenanthridine.
What is the SMILES notation for 6,12a-dihydrobenzo[a]phenanthridine?
The canonical SMILES for 6,12a-dihydrobenzo[a]phenanthridine is C1=CC2=CC=C3NC=c4ccccc4=C3C2C=C1.
What is the InChIKey of 6,12a-dihydrobenzo[a]phenanthridine?
The InChIKey is BHXHAOFLNOISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-11,14,18H.
What are the key properties of 6,12a-dihydrobenzo[a]phenanthridine?
6,12a-dihydrobenzo[a]phenanthridine has a molecular weight of 231.30 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12a-dihydrobenzo[a]phenanthridine is sourced from PubChem (CID 88502559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).