1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))

C42H36V3 — CID 159055961

IUPAC1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))
SMILESCc1[c-]c(-c2[c-]cccc2)ccc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.[V+2].[V+2].[V+2]
InChIInChI=1S/3C14H12.3V/c3*1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;;;/h2*3-6,8,10H,1-2H3;3-6,8-9H,1-2H3;;;/q3*-2;3*+2
InChIKeyFMVOERTVPHYLPS-UHFFFAOYSA-N
MW693.58 g/mol
LogP10.70
Rot. Bonds3

About 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))

1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) (PubChem CID 159055961) has the molecular formula C42H36V3 and a molecular weight of 693.58 g/mol. Its IUPAC name is 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)).

Molecular Properties

Compound Name1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))
PubChem CID159055961
Molecular FormulaC42H36V3
Molecular Weight693.58 g/mol
Exact Mass693.11
IUPAC Name1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))
SMILESCc1[c-]c(-c2[c-]cccc2)ccc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.[V+2].[V+2].[V+2]
InChIInChI=1S/3C14H12.3V/c3*1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;;;/h2*3-6,8,10H,1-2H3;3-6,8-9H,1-2H3;;;/q3*-2;3*+2
InChIKeyFMVOERTVPHYLPS-UHFFFAOYSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.58
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) with MolForge

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Related Compounds

CID 176641489
CID 176641489
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
ethane;1-methyl-3-(3-methylbenzene-2-id-1-yl)benzene-2-ide;1-methyl-3-(3-methylbenzene-6-id-1-yl)benzene-4-ide;1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide;tris(yttrium)
CID 158718781
1,6-dimethyl-3-phenyl-2H-pyridin-1-ium-2-ide;1,6-dimethyl-4-phenyl-3H-pyridin-1-ium-3-ide;bis(vanadium(2+))
CID 162211345
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
2-methyl-1-(2-methyl-5-phenylbenzene-6-id-1-yl)-8H-isoquinolin-2-ium-8-ide;tungsten
CID 177081636

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))?
The IUPAC name of 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) (CID 159055961) is 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)).
What is the SMILES notation for 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))?
The canonical SMILES for 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) is Cc1[c-]c(-c2[c-]cccc2)ccc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.Cc1c[c-]c(-c2[c-]cccc2)cc1C.[V+2].[V+2].[V+2].
What is the InChIKey of 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))?
The InChIKey is FMVOERTVPHYLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12.3V/c3*1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;;;/h2*3-6,8,10H,1-2H3;3-6,8-9H,1-2H3;;;/q3*-2;3*+2.
What are the key properties of 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+))?
1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) has a molecular weight of 693.58 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-phenylbenzene-3-ide;bis(1,2-dimethyl-4-phenylbenzene-5-ide);tris(vanadium(2+)) is sourced from PubChem (CID 159055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).