6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium

C18H16N+ — CID 11211486

IUPAC6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium
SMILESC[n+]1cc2c(c3ccccc31)CCc1ccccc1-2
InChIInChI=1S/C18H16N/c1-19-12-17-14-7-3-2-6-13(14)10-11-15(17)16-8-4-5-9-18(16)19/h2-9,12H,10-11H2,1H3/q+1
InChIKeyBJDIMDIUEPYYKY-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.43
Rot. Bonds

About 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium

6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium (PubChem CID 11211486) has the molecular formula C18H16N+ and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium.

Molecular Properties

Compound Name6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium
PubChem CID11211486
Molecular FormulaC18H16N+
Molecular Weight246.33 g/mol
Exact Mass246.13
IUPAC Name6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium
SMILESC[n+]1cc2c(c3ccccc31)CCc1ccccc1-2
InChIInChI=1S/C18H16N/c1-19-12-17-14-7-3-2-6-13(14)10-11-15(17)16-8-4-5-9-18(16)19/h2-9,12H,10-11H2,1H3/q+1
InChIKeyBJDIMDIUEPYYKY-UHFFFAOYSA-N
XLogP3.43
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

12-methyl-6H-isochromeno[4,3-c]quinolin-12-ium
CID 11316091
9,10-dihydrophenanthrene;ethane
CID 143759681
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
1-bromo-9,10-dihydrophenanthrene
CID 147917753
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
13-methyl-5,6-dihydroisoquinolino[1,2-b]quinazolin-13-ium-8-one
CID 86046103
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103
10-methyl-9-[6-(10-methylacridin-10-ium-9-yl)-1,2-dihydroacenaphthylen-5-yl]acridin-10-ium
CID 101375016
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294

Frequently Asked Questions

What is the IUPAC name of 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium?
The IUPAC name of 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium (CID 11211486) is 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium.
What is the SMILES notation for 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium?
The canonical SMILES for 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium is C[n+]1cc2c(c3ccccc31)CCc1ccccc1-2.
What is the InChIKey of 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium?
The InChIKey is BJDIMDIUEPYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N/c1-19-12-17-14-7-3-2-6-13(14)10-11-15(17)16-8-4-5-9-18(16)19/h2-9,12H,10-11H2,1H3/q+1.
What are the key properties of 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium?
6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium has a molecular weight of 246.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-11,12-dihydrobenzo[i]phenanthridin-6-ium is sourced from PubChem (CID 11211486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).