methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene

C59H102 — CID 142322094

IUPACmethane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1ccccc1C1C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C43H38.16CH4/c1-31-19-17-18-30-37(31)43-41(35-26-13-5-14-27-35)39(33-22-9-3-10-23-33)38(32-20-7-2-8-21-32)40(34-24-11-4-12-25-34)42(43)36-28-15-6-16-29-36;;;;;;;;;;;;;;;;/h2-30,38-43H,1H3;16*1H4
InChIKeyCBMMTSZJZDSIJO-UHFFFAOYSA-N
MW811.47 g/mol
LogP21.19
Rot. Bonds6

About methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene

methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene (PubChem CID 142322094) has the molecular formula C59H102 and a molecular weight of 811.47 g/mol. Its IUPAC name is methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene.

Molecular Properties

Compound Namemethane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene
PubChem CID142322094
Molecular FormulaC59H102
Molecular Weight811.47 g/mol
Exact Mass810.80
IUPAC Namemethane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1ccccc1C1C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C43H38.16CH4/c1-31-19-17-18-30-37(31)43-41(35-26-13-5-14-27-35)39(33-22-9-3-10-23-33)38(32-20-7-2-8-21-32)40(34-24-11-4-12-25-34)42(43)36-28-15-6-16-29-36;;;;;;;;;;;;;;;;/h2-30,38-43H,1H3;16*1H4
InChIKeyCBMMTSZJZDSIJO-UHFFFAOYSA-N
XLogP21.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.47
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene?
The IUPAC name of methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene (CID 142322094) is methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene.
What is the SMILES notation for methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene?
The canonical SMILES for methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.Cc1ccccc1C1C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene?
The InChIKey is CBMMTSZJZDSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38.16CH4/c1-31-19-17-18-30-37(31)43-41(35-26-13-5-14-27-35)39(33-22-9-3-10-23-33)38(32-20-7-2-8-21-32)40(34-24-11-4-12-25-34)42(43)36-28-15-6-16-29-36;;;;;;;;;;;;;;;;/h2-30,38-43H,1H3;16*1H4.
What are the key properties of methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene?
methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene has a molecular weight of 811.47 g/mol, XLogP of 21.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-(2,3,4,5,6-pentakis-phenylcyclohexyl)benzene is sourced from PubChem (CID 142322094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).