carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)

C60H92Y2-8 — CID 159512363

IUPACcarbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)
SMILESC.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(C)(C)c2c(C)c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C28H38.C27H38.CH4.4CH3.2Y/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9;1-12-15-26(8,9)23-14-13-17(2)24(16-23)27(10,11)25-21(6)19(4)18(3)20(5)22(25)7;;;;;;;/h12-13,16H,15H2,1-11H3;12-13,16H,15H2,1-11H3;1H4;4*1H3;;/q2*-2;;4*-1;;
InChIKeyTWFXDZYEDJAWPV-UHFFFAOYSA-N
MW991.21 g/mol
LogP18.06
Rot. Bonds10

About carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)

carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) (PubChem CID 159512363) has the molecular formula C60H92Y2-8 and a molecular weight of 991.21 g/mol. Its IUPAC name is carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium).

Molecular Properties

Compound Namecarbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)
PubChem CID159512363
Molecular FormulaC60H92Y2-8
Molecular Weight991.21 g/mol
Exact Mass990.54
IUPAC Namecarbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)
SMILESC.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(C)(C)c2c(C)c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C28H38.C27H38.CH4.4CH3.2Y/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9;1-12-15-26(8,9)23-14-13-17(2)24(16-23)27(10,11)25-21(6)19(4)18(3)20(5)22(25)7;;;;;;;/h12-13,16H,15H2,1-11H3;12-13,16H,15H2,1-11H3;1H4;4*1H3;;/q2*-2;;4*-1;;
InChIKeyTWFXDZYEDJAWPV-UHFFFAOYSA-N
XLogP18.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms62
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.21
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)?
The IUPAC name of carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) (CID 159512363) is carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium).
What is the SMILES notation for carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)?
The canonical SMILES for carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) is C.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1.C[CH-]CC(C)(C)c1[c-]cc(C)c(C(C)(C)c2c(C)c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)?
The InChIKey is TWFXDZYEDJAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38.C27H38.CH4.4CH3.2Y/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9;1-12-15-26(8,9)23-14-13-17(2)24(16-23)27(10,11)25-21(6)19(4)18(3)20(5)22(25)7;;;;;;;/h12-13,16H,15H2,1-11H3;12-13,16H,15H2,1-11H3;1H4;4*1H3;;/q2*-2;;4*-1;;.
What are the key properties of carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)?
carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) has a molecular weight of 991.21 g/mol, XLogP of 18.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium) is sourced from PubChem (CID 159512363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).