13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

C25H30 — CID 142082176

IUPAC13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESCC1CC2C3C(c4ccccc4)Cc4ccccc4C3CCC2(C)C1
InChIInChI=1S/C25H30/c1-17-14-23-24-21(12-13-25(23,2)16-17)20-11-7-6-10-19(20)15-22(24)18-8-4-3-5-9-18/h3-11,17,21-24H,12-16H2,1-2H3
InChIKeyXHLNNXGWTSMVHM-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.57
Rot. Bonds1

About 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (PubChem CID 142082176) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
PubChem CID142082176
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESCC1CC2C3C(c4ccccc4)Cc4ccccc4C3CCC2(C)C1
InChIInChI=1S/C25H30/c1-17-14-23-24-21(12-13-25(23,2)16-17)20-11-7-6-10-19(20)15-22(24)18-8-4-3-5-9-18/h3-11,17,21-24H,12-16H2,1-2H3
InChIKeyXHLNNXGWTSMVHM-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene with MolForge

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Related Compounds

(7R,8S,9S,13R,14R,16S)-3-methoxy-7,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 141064216
(7R,8R,9S,13R,16R)-13-methyl-15-methylidene-7-phenyl-7,8,9,11,12,14,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,16-diol
CID 90846649
(7R,8R,9S,13R,14R,15S,16R)-3,16-dihydroxy-13-methyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15-carbothialdehyde
CID 21057270
(7S,8S,9S,13S,14S)-7-ethenyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 57209129
(7R,8R,9S,13R,14R,16R)-13-methyl-7-phenyl-15-prop-1-en-2-yl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
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(8S,9S,13R,14S,16S)-7-methoxy-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylic acid
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methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
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CID 154477226

Frequently Asked Questions

What is the IUPAC name of 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The IUPAC name of 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CID 142082176) is 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is CC1CC2C3C(c4ccccc4)Cc4ccccc4C3CCC2(C)C1.
What is the InChIKey of 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The InChIKey is XHLNNXGWTSMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-17-14-23-24-21(12-13-25(23,2)16-17)20-11-7-6-10-19(20)15-22(24)18-8-4-3-5-9-18/h3-11,17,21-24H,12-16H2,1-2H3.
What are the key properties of 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene has a molecular weight of 330.52 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 142082176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).