bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)

C40H55IO2Rh2-2 — CID 158576406

IUPACbis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)
SMILESCC.CC.CI.CO[C-](C)C.C[C-](C)O.[Rh].[Rh].c1ccc2c(c1)Cc1ccccc1C2.c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/2C14H12.C4H9O.C3H7O.2C2H6.CH3I.2Rh/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)5-3;1-3(2)4;3*1-2;;/h2*1-8H,9-10H2;1-3H3;4H,1-2H3;2*1-2H3;1H3;;/q;;2*-1;;;;;
InChIKeySVCGPVQUGQZYJR-UHFFFAOYSA-N
MW900.59 g/mol
LogP11.60
Rot. Bonds1

About bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)

bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium) (PubChem CID 158576406) has the molecular formula C40H55IO2Rh2-2 and a molecular weight of 900.59 g/mol. Its IUPAC name is bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium).

Molecular Properties

Compound Namebis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)
PubChem CID158576406
Molecular FormulaC40H55IO2Rh2-2
Molecular Weight900.59 g/mol
Exact Mass900.14
IUPAC Namebis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)
SMILESCC.CC.CI.CO[C-](C)C.C[C-](C)O.[Rh].[Rh].c1ccc2c(c1)Cc1ccccc1C2.c1ccc2c(c1)Cc1ccccc1C2
InChIInChI=1S/2C14H12.C4H9O.C3H7O.2C2H6.CH3I.2Rh/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)5-3;1-3(2)4;3*1-2;;/h2*1-8H,9-10H2;1-3H3;4H,1-2H3;2*1-2H3;1H3;;/q;;2*-1;;;;;
InChIKeySVCGPVQUGQZYJR-UHFFFAOYSA-N
XLogP11.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.59
LogP ≤ 511.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[4.1.0]hepta-1,3,5-triene;methoxymethanol
CID 174438121
9,10-dihydroanthracene;methanamine
CID 123513741
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
bicyclo[4.1.0]hepta-1,3,5-triene;hydroxy-methyl-oxophosphanium
CID 18403077
ethane;2-methylidene-1,3-dihydroindene
CID 90790754
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
9H-fluorene;methyl acetate
CID 143080534
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
ethane;9H-fluorene;methane;methoxyethane;propane
CID 159155851

Frequently Asked Questions

What is the IUPAC name of bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)?
The IUPAC name of bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium) (CID 158576406) is bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium).
What is the SMILES notation for bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)?
The canonical SMILES for bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium) is CC.CC.CI.CO[C-](C)C.C[C-](C)O.[Rh].[Rh].c1ccc2c(c1)Cc1ccccc1C2.c1ccc2c(c1)Cc1ccccc1C2.
What is the InChIKey of bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)?
The InChIKey is SVCGPVQUGQZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12.C4H9O.C3H7O.2C2H6.CH3I.2Rh/c2*1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4(2)5-3;1-3(2)4;3*1-2;;/h2*1-8H,9-10H2;1-3H3;4H,1-2H3;2*1-2H3;1H3;;/q;;2*-1;;;;;.
What are the key properties of bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium)?
bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium) has a molecular weight of 900.59 g/mol, XLogP of 11.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,10-dihydroanthracene);ethane;iodomethane;2-methoxypropane;propan-2-ol;bis(rhodium) is sourced from PubChem (CID 158576406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).