bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one

C20H25ORh2- — CID 59985754

IUPACbis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one
SMILESCc1[c-]c2c(cc1C)C1CC[C@]3(C)C(=O)CCC3C1CC2.[Rh].[Rh]
InChIInChI=1S/C20H25O.2Rh/c1-12-10-14-4-5-16-15(17(14)11-13(12)2)8-9-20(3)18(16)6-7-19(20)21;;/h11,15-16,18H,4-9H2,1-3H3;;/q-1;;/t15?,16?,18?,20-;;/m0../s1
InChIKeyABDOVTVJFRMUTM-JFZUNIEGSA-N
MW487.23 g/mol
LogP4.52
Rot. Bonds

About bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one

bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one (PubChem CID 59985754) has the molecular formula C20H25ORh2- and a molecular weight of 487.23 g/mol. Its IUPAC name is bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one.

Molecular Properties

Compound Namebis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one
PubChem CID59985754
Molecular FormulaC20H25ORh2-
Molecular Weight487.23 g/mol
Exact Mass487.00
IUPAC Namebis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one
SMILESCc1[c-]c2c(cc1C)C1CC[C@]3(C)C(=O)CCC3C1CC2.[Rh].[Rh]
InChIInChI=1S/C20H25O.2Rh/c1-12-10-14-4-5-16-15(17(14)11-13(12)2)8-9-20(3)18(16)6-7-19(20)21;;/h11,15-16,18H,4-9H2,1-3H3;;/q-1;;/t15?,16?,18?,20-;;/m0../s1
InChIKeyABDOVTVJFRMUTM-JFZUNIEGSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8R,9S,13S,14S)-2-chloro-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 154246822
(8S,9R,13S,14S)-3-methoxy-2,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 124837092
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
sodium;hydride;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 173174187
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;propanoic acid
CID 70249136
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl](211At)astatine-211
CID 166025844
(8R,9S,13S,14S)-13-methyl-2,3-bis(trimethylsilyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22809806
(8R,9S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 138394878
CID 57413325
CID 57413325
(8S,9S,13S,14R)-3-ethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 51676413
disodium;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;sulfate
CID 67173309
(8R,9S,13S,14S)-2-dimethylarsanyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 87793404

Frequently Asked Questions

What is the IUPAC name of bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one?
The IUPAC name of bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one (CID 59985754) is bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one.
What is the SMILES notation for bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one?
The canonical SMILES for bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one is Cc1[c-]c2c(cc1C)C1CC[C@]3(C)C(=O)CCC3C1CC2.[Rh].[Rh].
What is the InChIKey of bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one?
The InChIKey is ABDOVTVJFRMUTM-JFZUNIEGSA-N. The full InChI is InChI=1S/C20H25O.2Rh/c1-12-10-14-4-5-16-15(17(14)11-13(12)2)8-9-20(3)18(16)6-7-19(20)21;;/h11,15-16,18H,4-9H2,1-3H3;;/q-1;;/t15?,16?,18?,20-;;/m0../s1.
What are the key properties of bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one?
bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one has a molecular weight of 487.23 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one is sourced from PubChem (CID 59985754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).