cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium

C29H29Co2Rh-9 — CID 11985193

IUPACcobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium
SMILES[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Co].[Co].[Rh].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.3C5H5.2Co.Rh/c2*1-7-5-3-2-4-6-7;3*1-2-4-5-3-1;;;/h2*2-6H,1H2;3*1-5H;;;/q2*-1;-5;2*-1;;;
InChIKeyRHOKFOWBVOXJNC-UHFFFAOYSA-N
MW598.32 g/mol
LogP7.95
Rot. Bonds

About cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium

cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium (PubChem CID 11985193) has the molecular formula C29H29Co2Rh-9 and a molecular weight of 598.32 g/mol. Its IUPAC name is cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium.

Molecular Properties

Compound Namecobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium
PubChem CID11985193
Molecular FormulaC29H29Co2Rh-9
Molecular Weight598.32 g/mol
Exact Mass598.00
IUPAC Namecobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium
SMILES[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Co].[Co].[Rh].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7.3C5H5.2Co.Rh/c2*1-7-5-3-2-4-6-7;3*1-2-4-5-3-1;;;/h2*2-6H,1H2;3*1-5H;;;/q2*-1;-5;2*-1;;;
InChIKeyRHOKFOWBVOXJNC-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.32
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium?
The IUPAC name of cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium (CID 11985193) is cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium.
What is the SMILES notation for cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium?
The canonical SMILES for cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium is [CH2-]c1ccccc1.[CH2-]c1ccccc1.[Co].[Co].[Rh].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium?
The InChIKey is RHOKFOWBVOXJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.3C5H5.2Co.Rh/c2*1-7-5-3-2-4-6-7;3*1-2-4-5-3-1;;;/h2*2-6H,1H2;3*1-5H;;;/q2*-1;-5;2*-1;;;.
What are the key properties of cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium?
cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium has a molecular weight of 598.32 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(cyclopenta-1,3-diene);cyclopentane;methanidylbenzene;rhodium is sourced from PubChem (CID 11985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).