buta-1,3-diene;rhodium;tetraphenylboranuide

C28H26BRh- — CID 11005281

IUPACbuta-1,3-diene;rhodium;tetraphenylboranuide
SMILESC=CC=C.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C4H6.Rh/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-2;/h1-20H;3-4H,1-2H2;/q-1;;
InChIKeyJICAGFJQTPDBRD-UHFFFAOYSA-N
MW476.23 g/mol
LogP4.42
Rot. Bonds5

About buta-1,3-diene;rhodium;tetraphenylboranuide

buta-1,3-diene;rhodium;tetraphenylboranuide (PubChem CID 11005281) has the molecular formula C28H26BRh- and a molecular weight of 476.23 g/mol. Its IUPAC name is buta-1,3-diene;rhodium;tetraphenylboranuide.

Molecular Properties

Compound Namebuta-1,3-diene;rhodium;tetraphenylboranuide
PubChem CID11005281
Molecular FormulaC28H26BRh-
Molecular Weight476.23 g/mol
Exact Mass476.12
IUPAC Namebuta-1,3-diene;rhodium;tetraphenylboranuide
SMILESC=CC=C.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C4H6.Rh/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-2;/h1-20H;3-4H,1-2H2;/q-1;;
InChIKeyJICAGFJQTPDBRD-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

calcium;tetraphenylboranuide;iodide
CID 23136649
CID 174934257
CID 174934257
tetraphenylboranuide tetrafluoroborate
CID 87564099
hydroxyazanium;tetraphenylboranuide
CID 171792531
methanamine;tetraphenylboranuide
CID 175835863
dimethylphosphanium;tetraphenylboranuide
CID 174900648
(4-ethenylphenyl)-triphenylboranuide;trimethylazanium
CID 22370909
CID 134901880
CID 134901880
tetraphenylboranuide;tritert-butylphosphane
CID 86674235
sodium;boric acid;hydride;tetraphenylboranuide
CID 173188493
tert-butyliodanium;tetraphenylboranuide
CID 156646741
2,5-dimethyl-1-prop-2-enyltellurolan-1-ium;tetraphenylboranuide
CID 134926300

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;rhodium;tetraphenylboranuide?
The IUPAC name of buta-1,3-diene;rhodium;tetraphenylboranuide (CID 11005281) is buta-1,3-diene;rhodium;tetraphenylboranuide.
What is the SMILES notation for buta-1,3-diene;rhodium;tetraphenylboranuide?
The canonical SMILES for buta-1,3-diene;rhodium;tetraphenylboranuide is C=CC=C.[Rh].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of buta-1,3-diene;rhodium;tetraphenylboranuide?
The InChIKey is JICAGFJQTPDBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.C4H6.Rh/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-2;/h1-20H;3-4H,1-2H2;/q-1;;.
What are the key properties of buta-1,3-diene;rhodium;tetraphenylboranuide?
buta-1,3-diene;rhodium;tetraphenylboranuide has a molecular weight of 476.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;rhodium;tetraphenylboranuide is sourced from PubChem (CID 11005281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).