carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))

C25H40W12-2 — CID 158638059

IUPACcarbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
SMILESCC.CC.C[CH-]c1[c-]cc(C)cc1.[CH2-]C(C)c1[c-]cc(C)cc1.[CH3-].[CH3-].[W+2].[W+2].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C10H12.C9H10.2C2H6.2CH3.12W/c1-8(2)10-6-4-9(3)5-7-10;1-3-9-6-4-8(2)5-7-9;2*1-2;;;;;;;;;;;;;;/h4-6,8H,1H2,2-3H3;3-6H,1-2H3;2*1-2H3;2*1H3;;;;;;;;;;;;/q2*-2;;;2*-1;;;;;;;;;;;2*+2
InChIKeyRLFGVLMLRWTMRW-UHFFFAOYSA-N
MW2546.67 g/mol
LogP8.02
Rot. Bonds2

About carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))

carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) (PubChem CID 158638059) has the molecular formula C25H40W12-2 and a molecular weight of 2546.67 g/mol. Its IUPAC name is carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)).

Molecular Properties

Compound Namecarbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
PubChem CID158638059
Molecular FormulaC25H40W12-2
Molecular Weight2546.67 g/mol
Exact Mass2547.73
IUPAC Namecarbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
SMILESCC.CC.C[CH-]c1[c-]cc(C)cc1.[CH2-]C(C)c1[c-]cc(C)cc1.[CH3-].[CH3-].[W+2].[W+2].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C10H12.C9H10.2C2H6.2CH3.12W/c1-8(2)10-6-4-9(3)5-7-10;1-3-9-6-4-8(2)5-7-9;2*1-2;;;;;;;;;;;;;;/h4-6,8H,1H2,2-3H3;3-6H,1-2H3;2*1-2H3;2*1H3;;;;;;;;;;;;/q2*-2;;;2*-1;;;;;;;;;;;2*+2
InChIKeyRLFGVLMLRWTMRW-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002546.67
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)
CID 59323590
carbanide;4-methylbenzene-6-ide-1-carbaldehyde;tungsten(2+)
CID 59723801
1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)
CID 170611080
[(2R)-propan-2-yl]benzene;yttrium
CID 59679687
bromozinc(1+);1-butan-2-yloxy-4-methylbenzene-6-ide
CID 146002014
magnesium;1,4-dimethylbenzene-6-ide;chloride
CID 3018290
CID 156800178
CID 156800178
bromozinc(1+);1-methyl-4-propoxybenzene-5-ide
CID 133144737
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1,4-dimethylbenzene-3,5-diide;tungsten;yttrium
CID 59922664
1,3-difluoro-2-methyl-5-(4-methylbenzene-6-id-1-yl)benzene-6-ide;tungsten(2+)
CID 167370501
ethane;(4-methylbenzene-6-id-1-yl)iminomethanethiol;yttrium
CID 156717556

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))?
The IUPAC name of carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) (CID 158638059) is carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)).
What is the SMILES notation for carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))?
The canonical SMILES for carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) is CC.CC.C[CH-]c1[c-]cc(C)cc1.[CH2-]C(C)c1[c-]cc(C)cc1.[CH3-].[CH3-].[W+2].[W+2].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))?
The InChIKey is RLFGVLMLRWTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10.2C2H6.2CH3.12W/c1-8(2)10-6-4-9(3)5-7-10;1-3-9-6-4-8(2)5-7-9;2*1-2;;;;;;;;;;;;;;/h4-6,8H,1H2,2-3H3;3-6H,1-2H3;2*1-2H3;2*1H3;;;;;;;;;;;;/q2*-2;;;2*-1;;;;;;;;;;;2*+2.
What are the key properties of carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))?
carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) has a molecular weight of 2546.67 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+)) is sourced from PubChem (CID 158638059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).