1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium

C27H35Y- — CID 59931239

IUPAC1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
SMILESCC1CCC(C2CCC(CCc3ccc(-c4cc[c-]cc4)cc3)CC2)CC1.[Y]
InChIInChI=1S/C27H35.Y/c1-21-7-15-25(16-8-21)27-19-13-23(14-20-27)10-9-22-11-17-26(18-12-22)24-5-3-2-4-6-24;/h3-6,11-12,17-18,21,23,25,27H,7-10,13-16,19-20H2,1H3;/q-1;
InChIKeyPCMPHNODYDMSIQ-UHFFFAOYSA-N
MW448.48 g/mol
LogP7.72
Rot. Bonds5

About 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium

1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium (PubChem CID 59931239) has the molecular formula C27H35Y- and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium.

Molecular Properties

Compound Name1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
PubChem CID59931239
Molecular FormulaC27H35Y-
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
SMILESCC1CCC(C2CCC(CCc3ccc(-c4cc[c-]cc4)cc3)CC2)CC1.[Y]
InChIInChI=1S/C27H35.Y/c1-21-7-15-25(16-8-21)27-19-13-23(14-20-27)10-9-22-11-17-26(18-12-22)24-5-3-2-4-6-24;/h3-6,11-12,17-18,21,23,25,27H,7-10,13-16,19-20H2,1H3;/q-1;
InChIKeyPCMPHNODYDMSIQ-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 57.72
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

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium
CID 59931212
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
4-[4-(4-methylcyclohexyl)cyclohexyl]butylbenzene;yttrium(3+)
CID 18720889
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
CID 20632303
CID 20632303
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium?
The IUPAC name of 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium (CID 59931239) is 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium.
What is the SMILES notation for 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium?
The canonical SMILES for 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium is CC1CCC(C2CCC(CCc3ccc(-c4cc[c-]cc4)cc3)CC2)CC1.[Y].
What is the InChIKey of 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium?
The InChIKey is PCMPHNODYDMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35.Y/c1-21-7-15-25(16-8-21)27-19-13-23(14-20-27)10-9-22-11-17-26(18-12-22)24-5-3-2-4-6-24;/h3-6,11-12,17-18,21,23,25,27H,7-10,13-16,19-20H2,1H3;/q-1;.
What are the key properties of 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium?
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium has a molecular weight of 448.48 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium is sourced from PubChem (CID 59931239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).