carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)

C55H103Y3-3 — CID 158874697

IUPACcarbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/2C13H14.C9H12.7C2H6.3CH4.3CH3.3Y/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-4-3-5-7-9;7*1-2;;;;;;;;;/h2*3-10H,1-2H3;3-8H,1-2H3;7*1-2H3;3*1H4;3*1H3;;;/q;;;;;;;;;;;;;3*-1;;;
InChIKeyYEYHXFDWZHHBRY-UHFFFAOYSA-N
MW1031.15 g/mol
LogP21.17
Rot. Bonds3

About carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)

carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium) (PubChem CID 158874697) has the molecular formula C55H103Y3-3 and a molecular weight of 1031.15 g/mol. Its IUPAC name is carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium).

Molecular Properties

Compound Namecarbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
PubChem CID158874697
Molecular FormulaC55H103Y3-3
Molecular Weight1031.15 g/mol
Exact Mass1030.53
IUPAC Namecarbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/2C13H14.C9H12.7C2H6.3CH4.3CH3.3Y/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-4-3-5-7-9;7*1-2;;;;;;;;;/h2*3-10H,1-2H3;3-8H,1-2H3;7*1-2H3;3*1H4;3*1H3;;;/q;;;;;;;;;;;;;3*-1;;;
InChIKeyYEYHXFDWZHHBRY-UHFFFAOYSA-N
XLogP21.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.15
LogP ≤ 521.17
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

cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
1,6-di(propan-2-yl)naphthalene
CID 3016596
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231
ethane;2-propan-2-ylnaphthalene
CID 142226111
tetrakis(hexa-1,3,5-triyne);bis(penta-1,3-diyne);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);bis(prop-1-yne)
CID 167563670
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
butane;1-propan-2-ylnaphthalene
CID 157253186
2-propan-2-ylpentacene
CID 153380535
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223

Frequently Asked Questions

What is the IUPAC name of carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)?
The IUPAC name of carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium) (CID 158874697) is carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium).
What is the SMILES notation for carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)?
The canonical SMILES for carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium) is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)?
The InChIKey is YEYHXFDWZHHBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.C9H12.7C2H6.3CH4.3CH3.3Y/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-6-4-3-5-7-9;7*1-2;;;;;;;;;/h2*3-10H,1-2H3;3-8H,1-2H3;7*1-2H3;3*1H4;3*1H3;;;/q;;;;;;;;;;;;;3*-1;;;.
What are the key properties of carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)?
carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium) has a molecular weight of 1031.15 g/mol, XLogP of 21.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium) is sourced from PubChem (CID 158874697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).