1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium

C20H18N+ — CID 59904303

IUPAC1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
SMILESC[C@H]1c2ccccc2-c2ccccc2[C@@H]1[n+]1ccccc1
InChIInChI=1S/C20H18N/c1-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)20(15)21-13-7-2-8-14-21/h2-15,20H,1H3/q+1/t15-,20+/m0/s1
InChIKeyWQQBOGGINWOUFB-MGPUTAFESA-N
MW272.37 g/mol
LogP4.35
Rot. Bonds1

About 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium

1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium (PubChem CID 59904303) has the molecular formula C20H18N+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
PubChem CID59904303
Molecular FormulaC20H18N+
Molecular Weight272.37 g/mol
Exact Mass272.14
IUPAC Name1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
SMILESC[C@H]1c2ccccc2-c2ccccc2[C@@H]1[n+]1ccccc1
InChIInChI=1S/C20H18N/c1-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)20(15)21-13-7-2-8-14-21/h2-15,20H,1H3/q+1/t15-,20+/m0/s1
InChIKeyWQQBOGGINWOUFB-MGPUTAFESA-N
XLogP4.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
N-[(9R,10R)-10-methyl-9,10-dihydrophenanthren-9-yl]acetamide
CID 134969506
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
9-phenyl-9H-fluorene
CID 13091
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

Frequently Asked Questions

What is the IUPAC name of 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium?
The IUPAC name of 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium (CID 59904303) is 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium.
What is the SMILES notation for 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium?
The canonical SMILES for 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium is C[C@H]1c2ccccc2-c2ccccc2[C@@H]1[n+]1ccccc1.
What is the InChIKey of 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium?
The InChIKey is WQQBOGGINWOUFB-MGPUTAFESA-N. The full InChI is InChI=1S/C20H18N/c1-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)20(15)21-13-7-2-8-14-21/h2-15,20H,1H3/q+1/t15-,20+/m0/s1.
What are the key properties of 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium?
1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium has a molecular weight of 272.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium is sourced from PubChem (CID 59904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).