11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium

C19H17+ — CID 15498399

IUPAC11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium
SMILESCc1cc2c(c3ccc4ccccc4c13)CC[C+]2C
InChIInChI=1S/C19H17/c1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)13(2)11-18(12)16/h3-6,8,10-11H,7,9H2,1-2H3/q+1
InChIKeyXGWDZTBGMBUSCZ-UHFFFAOYSA-N
MW245.34 g/mol
LogP5.19
Rot. Bonds

About 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium

11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium (PubChem CID 15498399) has the molecular formula C19H17+ and a molecular weight of 245.34 g/mol. Its IUPAC name is 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium.

Molecular Properties

Compound Name11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium
PubChem CID15498399
Molecular FormulaC19H17+
Molecular Weight245.34 g/mol
Exact Mass245.13
IUPAC Name11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium
SMILESCc1cc2c(c3ccc4ccccc4c13)CC[C+]2C
InChIInChI=1S/C19H17/c1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)13(2)11-18(12)16/h3-6,8,10-11H,7,9H2,1-2H3/q+1
InChIKeyXGWDZTBGMBUSCZ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol
CID 53463158
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
1,3,4-trimethylphenanthrene
CID 53421592
3,5-dimethyl-1,2-dihydrobenzo[j]aceanthrylene
CID 3559832
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
11-methylnaphtho[1,2-h]isoquinoline
CID 134973288
11-butyl-1,2,3,4-tetrahydrochrysene
CID 625666
8-methylpentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),2(5),6,8,10(18),11,13(17),14-octaene
CID 123187925
4-methoxy-2-methylphenanthrene
CID 11775729
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16-nonaene
CID 3063315
1,2-dimethylnaphthalene;hydrobromide
CID 174429192

Frequently Asked Questions

What is the IUPAC name of 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium?
The IUPAC name of 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium (CID 15498399) is 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium.
What is the SMILES notation for 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium?
The canonical SMILES for 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium is Cc1cc2c(c3ccc4ccccc4c13)CC[C+]2C.
What is the InChIKey of 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium?
The InChIKey is XGWDZTBGMBUSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17/c1-12-7-9-16-17-10-8-14-5-3-4-6-15(14)19(17)13(2)11-18(12)16/h3-6,8,10-11H,7,9H2,1-2H3/q+1.
What are the key properties of 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium?
11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium has a molecular weight of 245.34 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthren-17-ylium is sourced from PubChem (CID 15498399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).