bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate

C43H38As2ClO4Rh- — CID 134900444

IUPACbicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate
SMILESC1=CC2C=CC1C2.[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15As.C7H8.ClHO4.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-15H;1-4,6-7H,5H2;(H,2,3,4,5);/p-1
InChIKeySPMSBGGYWMLIJS-UHFFFAOYSA-M
MW906.98 g/mol
LogP1.40
Rot. Bonds6

About bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate

bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate (PubChem CID 134900444) has the molecular formula C43H38As2ClO4Rh- and a molecular weight of 906.98 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate
PubChem CID134900444
Molecular FormulaC43H38As2ClO4Rh-
Molecular Weight906.98 g/mol
Exact Mass906.00
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate
SMILESC1=CC2C=CC1C2.[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15As.C7H8.ClHO4.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-15H;1-4,6-7H,5H2;(H,2,3,4,5);/p-1
InChIKeySPMSBGGYWMLIJS-UHFFFAOYSA-M
XLogP1.40
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500906.98
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(bicyclo[2.2.1]hepta-2,5-diene);rhodium;perchlorate
CID 10927170
palladium;bis(triphenylarsane)
CID 10919635
(4-diphenylarsanylphenyl)-diphenylarsane
CID 71350968
carbon monoxide;molybdenum;tris(triphenylarsane)
CID 134902628
bicyclo[2.2.1]hepta-2,5-diene;propylbenzene
CID 175311370
bicyclo[2.2.1]hepta-2,5-diene;methylidyneoxidanium;molybdenum
CID 170920471
(3-diphenylarsanylphenyl)-trimethylazanium
CID 23267839
(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;rhodium;perchlorate
CID 10885700
[(1S,4S,6R)-4-methyl-6-phenylcyclohex-2-en-1-yl]methanol
CID 134992423
difluoro(phenyl)arsane
CID 9716
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(1R,5R)-4-benzylbicyclo[3.1.0]hex-2-ene
CID 135075375

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate (CID 134900444) is bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate is C1=CC2C=CC1C2.[O-][Cl+3]([O-])([O-])[O-].[Rh].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate?
The InChIKey is SPMSBGGYWMLIJS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15As.C7H8.ClHO4.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-15H;1-4,6-7H,5H2;(H,2,3,4,5);/p-1.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate?
bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate has a molecular weight of 906.98 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;rhodium;bis(triphenylarsane);perchlorate is sourced from PubChem (CID 134900444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).