(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

C24H30 — CID 173352639

IUPAC(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESC[C@]12C=C[C@H]3[C@@H](CC=C4CCCC(c5ccccc5)[C@@H]43)[C@@H]1CCC2
InChIInChI=1S/C24H30/c1-24-15-6-11-22(24)20-13-12-18-9-5-10-19(17-7-3-2-4-8-17)23(18)21(20)14-16-24/h2-4,7-8,12,14,16,19-23H,5-6,9-11,13,15H2,1H3/t19?,20-,21+,22+,23-,24+/m1/s1
InChIKeyYQLXILZYKQYLSH-AZNBXHQOSA-N
MW318.50 g/mol
LogP6.51
Rot. Bonds1

About (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (PubChem CID 173352639) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
PubChem CID173352639
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESC[C@]12C=C[C@H]3[C@@H](CC=C4CCCC(c5ccccc5)[C@@H]43)[C@@H]1CCC2
InChIInChI=1S/C24H30/c1-24-15-6-11-22(24)20-13-12-18-9-5-10-19(17-7-3-2-4-8-17)23(18)21(20)14-16-24/h2-4,7-8,12,14,16,19-23H,5-6,9-11,13,15H2,1H3/t19?,20-,21+,22+,23-,24+/m1/s1
InChIKeyYQLXILZYKQYLSH-AZNBXHQOSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The IUPAC name of (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (CID 173352639) is (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is C[C@]12C=C[C@H]3[C@@H](CC=C4CCCC(c5ccccc5)[C@@H]43)[C@@H]1CCC2.
What is the InChIKey of (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The InChIKey is YQLXILZYKQYLSH-AZNBXHQOSA-N. The full InChI is InChI=1S/C24H30/c1-24-15-6-11-22(24)20-13-12-18-9-5-10-19(17-7-3-2-4-8-17)23(18)21(20)14-16-24/h2-4,7-8,12,14,16,19-23H,5-6,9-11,13,15H2,1H3/t19?,20-,21+,22+,23-,24+/m1/s1.
What are the key properties of (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
(8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene has a molecular weight of 318.50 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13S,14S)-13-methyl-1-phenyl-1,2,3,4,7,8,9,10,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 173352639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).