(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)

C45H35Br2O4Rh3- — CID 162229405

IUPAC(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
SMILESO=C(O)[C@@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[CH2-]OC(=O)[C@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh].[Rh]
InChIInChI=1S/C23H18BrO2.C22H17BrO2.3Rh/c1-26-21(25)23(19-12-14-20(24)15-13-19)16-22(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17;;;/h2-15H,1,16H2;1-14H,15H2,(H,24,25);;;/q-1;;;;/t23-;22-;;;/m10.../s1
InChIKeyJIDFMAAYIFCJTD-SHBSTAHESA-N
MW1108.30 g/mol
LogP10.57
Rot. Bonds8

About (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)

(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) (PubChem CID 162229405) has the molecular formula C45H35Br2O4Rh3- and a molecular weight of 1108.30 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium).

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
PubChem CID162229405
Molecular FormulaC45H35Br2O4Rh3-
Molecular Weight1108.30 g/mol
Exact Mass1105.81
IUPAC Name(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)
SMILESO=C(O)[C@@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[CH2-]OC(=O)[C@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh].[Rh]
InChIInChI=1S/C23H18BrO2.C22H17BrO2.3Rh/c1-26-21(25)23(19-12-14-20(24)15-13-19)16-22(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17;;;/h2-15H,1,16H2;1-14H,15H2,(H,24,25);;;/q-1;;;;/t23-;22-;;;/m10.../s1
InChIKeyJIDFMAAYIFCJTD-SHBSTAHESA-N
XLogP10.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.30
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) with MolForge

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

Launch Full Analysis

Related Compounds

methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
cis-methyl (1S,2S)-2-(4-nitrophenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031531
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
1-(4-bromophenyl)-4-phenylbicyclo[2.2.2]octane
CID 134223965
ethyl 1-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 167107798
5-(4-bromophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008275
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 132516898
trans-(1R,2S)-1-(4-bromophenyl)-2-cyclopentylcyclopropane-1-carboxylic acid
CID 101397995

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)?
The IUPAC name of (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) (CID 162229405) is (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium).
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) is O=C(O)[C@@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[CH2-]OC(=O)[C@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh].[Rh].
What is the InChIKey of (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)?
The InChIKey is JIDFMAAYIFCJTD-SHBSTAHESA-N. The full InChI is InChI=1S/C23H18BrO2.C22H17BrO2.3Rh/c1-26-21(25)23(19-12-14-20(24)15-13-19)16-22(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17;;;/h2-15H,1,16H2;1-14H,15H2,(H,24,25);;;/q-1;;;;/t23-;22-;;;/m10.../s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium)?
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) has a molecular weight of 1108.30 g/mol, XLogP of 10.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;methanidyl (1S)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylate;tris(rhodium) is sourced from PubChem (CID 162229405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).