carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)

C88H113Rh3-3 — CID 159888057

IUPACcarbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
SMILESCCc1ccc(CC)c2ccccc12.CCc1ccc(CC)cc1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2ccc(C)cc2c1.CCc1cccc(CC)c1.CCc1cccc2c(CC)cccc12.CCc1ccccc1CC.[CH3-].[CH3-].[CH3-].[Rh].[Rh].[Rh]
InChIInChI=1S/3C14H16.C13H14.3C10H14.3CH3.3Rh/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-11-7-5-10-14-12(4-2)8-6-9-13(11)14;1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14;1-3-11-5-7-12-6-4-10(2)8-13(12)9-11;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2;;;;;;/h3*5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3*5-8H,3-4H2,1-2H3;3*1H3;;;/q;;;;;;;3*-1;;;
InChIKeyYSHFNFUNSBSBTA-UHFFFAOYSA-N
MW1479.59 g/mol
LogP25.38
Rot. Bonds13

About carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)

carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) (PubChem CID 159888057) has the molecular formula C88H113Rh3-3 and a molecular weight of 1479.59 g/mol. Its IUPAC name is carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium).

Molecular Properties

Compound Namecarbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
PubChem CID159888057
Molecular FormulaC88H113Rh3-3
Molecular Weight1479.59 g/mol
Exact Mass1478.60
IUPAC Namecarbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
SMILESCCc1ccc(CC)c2ccccc12.CCc1ccc(CC)cc1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2ccc(C)cc2c1.CCc1cccc(CC)c1.CCc1cccc2c(CC)cccc12.CCc1ccccc1CC.[CH3-].[CH3-].[CH3-].[Rh].[Rh].[Rh]
InChIInChI=1S/3C14H16.C13H14.3C10H14.3CH3.3Rh/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-11-7-5-10-14-12(4-2)8-6-9-13(11)14;1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14;1-3-11-5-7-12-6-4-10(2)8-13(12)9-11;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2;;;;;;/h3*5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3*5-8H,3-4H2,1-2H3;3*1H3;;;/q;;;;;;;3*-1;;;
InChIKeyYSHFNFUNSBSBTA-UHFFFAOYSA-N
XLogP25.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001479.59
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)?
The IUPAC name of carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) (CID 159888057) is carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium).
What is the SMILES notation for carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)?
The canonical SMILES for carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) is CCc1ccc(CC)c2ccccc12.CCc1ccc(CC)cc1.CCc1ccc2cc(CC)ccc2c1.CCc1ccc2ccc(C)cc2c1.CCc1cccc(CC)c1.CCc1cccc2c(CC)cccc12.CCc1ccccc1CC.[CH3-].[CH3-].[CH3-].[Rh].[Rh].[Rh].
What is the InChIKey of carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)?
The InChIKey is YSHFNFUNSBSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16.C13H14.3C10H14.3CH3.3Rh/c1-3-11-5-7-14-10-12(4-2)6-8-13(14)9-11;1-3-11-7-5-10-14-12(4-2)8-6-9-13(11)14;1-3-11-9-10-12(4-2)14-8-6-5-7-13(11)14;1-3-11-5-7-12-6-4-10(2)8-13(12)9-11;1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2;;;;;;/h3*5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3*5-8H,3-4H2,1-2H3;3*1H3;;;/q;;;;;;;3*-1;;;.
What are the key properties of carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)?
carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) has a molecular weight of 1479.59 g/mol, XLogP of 25.38, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium) is sourced from PubChem (CID 159888057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).