carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium

C21H33ReRfRhY-5 — CID 159405287

IUPACcarbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
SMILESCc1[c-]cc(C)cc1.Cc1ccc(C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Rf].[Rh].[Y]
InChIInChI=1S/C9H12.C8H9.4CH3.Re.Rf.Rh.Y/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;;;;;;;;/h4-6H,1-3H3;3-5H,1-2H3;4*1H3;;;;/q;5*-1;;;;
InChIKeyJMHWLZSNYMACRV-UHFFFAOYSA-N
MW930.51 g/mol
LogP6.51
Rot. Bonds

About carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium

carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium (PubChem CID 159405287) has the molecular formula C21H33ReRfRhY-5 and a molecular weight of 930.51 g/mol. Its IUPAC name is carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
PubChem CID159405287
Molecular FormulaC21H33ReRfRhY-5
Molecular Weight930.51 g/mol
Exact Mass931.15
IUPAC Namecarbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
SMILESCc1[c-]cc(C)cc1.Cc1ccc(C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Rf].[Rh].[Y]
InChIInChI=1S/C9H12.C8H9.4CH3.Re.Rf.Rh.Y/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;;;;;;;;/h4-6H,1-3H3;3-5H,1-2H3;4*1H3;;;;/q;5*-1;;;;
InChIKeyJMHWLZSNYMACRV-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.51
LogP ≤ 56.51
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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Related Compounds

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CID 3018290
1,2,4-trimethylbenzene
CID 7247
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CID 174988554
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CID 90728107
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
1,2-dimethylbenzene-5-ide;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2,3-trimethylbenzene-5-ide;1,2,4-trimethylbenzene-3-ide;tris(1,2,4-trimethylbenzene-5-ide);1,2,4-trimethylbenzene-6-ide;heptakis(yttrium)
CID 158753726
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268

Frequently Asked Questions

What is the IUPAC name of carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium?
The IUPAC name of carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium (CID 159405287) is carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium.
What is the SMILES notation for carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium?
The canonical SMILES for carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium is Cc1[c-]cc(C)cc1.Cc1ccc(C)c(C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Rf].[Rh].[Y].
What is the InChIKey of carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium?
The InChIKey is JMHWLZSNYMACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H9.4CH3.Re.Rf.Rh.Y/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;;;;;;;;/h4-6H,1-3H3;3-5H,1-2H3;4*1H3;;;;/q;5*-1;;;;.
What are the key properties of carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium?
carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium has a molecular weight of 930.51 g/mol, XLogP of 6.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium is sourced from PubChem (CID 159405287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).