15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene

C22H18N+ — CID 146709195

IUPAC15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene
SMILESC=C1C2c3ccccc3-c3ccc(-c4ccccc4)c(C)[n+]3C12
InChIInChI=1S/C22H18N/c1-14-21-19-11-7-6-10-18(19)20-13-12-17(15(2)23(20)22(14)21)16-8-4-3-5-9-16/h3-13,21-22H,1H2,2H3/q+1
InChIKeyXVWSXVWVZWEZHV-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.82
Rot. Bonds1

About 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene

15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene (PubChem CID 146709195) has the molecular formula C22H18N+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene.

Molecular Properties

Compound Name15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene
PubChem CID146709195
Molecular FormulaC22H18N+
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Name15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene
SMILESC=C1C2c3ccccc3-c3ccc(-c4ccccc4)c(C)[n+]3C12
InChIInChI=1S/C22H18N/c1-14-21-19-11-7-6-10-18(19)20-13-12-17(15(2)23(20)22(14)21)16-8-4-3-5-9-16/h3-13,21-22H,1H2,2H3/q+1
InChIKeyXVWSXVWVZWEZHV-UHFFFAOYSA-N
XLogP4.82
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
CID 174293968
4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 91801370
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
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CID 159087333
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
(3Z)-3-[[2-(1,4-dimethyl-5-phenylpyridin-1-ium-2-yl)phenyl]methylidene]-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(15),5,7,9,11,13-hexaene
CID 174117846
4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 143953901
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
CID 11202746
CID 11202746
1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
3,6-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59725414

Frequently Asked Questions

What is the IUPAC name of 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene?
The IUPAC name of 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene (CID 146709195) is 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene.
What is the SMILES notation for 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene?
The canonical SMILES for 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene is C=C1C2c3ccccc3-c3ccc(-c4ccccc4)c(C)[n+]3C12.
What is the InChIKey of 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene?
The InChIKey is XVWSXVWVZWEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N/c1-14-21-19-11-7-6-10-18(19)20-13-12-17(15(2)23(20)22(14)21)16-8-4-3-5-9-16/h3-13,21-22H,1H2,2H3/q+1.
What are the key properties of 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene?
15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene has a molecular weight of 296.39 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene is sourced from PubChem (CID 146709195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).