methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)

C71H100 — CID 162268984

IUPACmethane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
SMILESC.C.C.C.C.C.C.C.CC1CCCC1c1ccccc1.CC1CCCC1c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/3C13H12.2C12H16.8CH4/c3*1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-10-6-5-9-12(10)11-7-3-2-4-8-11;;;;;;;;/h3*2-10H,1H3;2*2-4,7-8,10,12H,5-6,9H2,1H3;8*1H4
InChIKeyIKYHDVXHUQXNKZ-UHFFFAOYSA-N
MW953.58 g/mol
LogP23.26
Rot. Bonds5

About methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)

methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene) (PubChem CID 162268984) has the molecular formula C71H100 and a molecular weight of 953.58 g/mol. Its IUPAC name is methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene).

Molecular Properties

Compound Namemethane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
PubChem CID162268984
Molecular FormulaC71H100
Molecular Weight953.58 g/mol
Exact Mass952.78
IUPAC Namemethane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
SMILESC.C.C.C.C.C.C.C.CC1CCCC1c1ccccc1.CC1CCCC1c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/3C13H12.2C12H16.8CH4/c3*1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-10-6-5-9-12(10)11-7-3-2-4-8-11;;;;;;;;/h3*2-10H,1H3;2*2-4,7-8,10,12H,5-6,9H2,1H3;8*1H4
InChIKeyIKYHDVXHUQXNKZ-UHFFFAOYSA-N
XLogP23.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.58
LogP ≤ 523.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methylcyclopentyl)benzene
CID 12600454
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
1-methyl-2-phenylbenzene;sulfane;trifluoroborane
CID 175768148
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
3-(2-methylcyclopentyl)aniline
CID 165463165
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)?
The IUPAC name of methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene) (CID 162268984) is methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene).
What is the SMILES notation for methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)?
The canonical SMILES for methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene) is C.C.C.C.C.C.C.C.CC1CCCC1c1ccccc1.CC1CCCC1c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1.Cc1ccccc1-c1ccccc1.
What is the InChIKey of methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)?
The InChIKey is IKYHDVXHUQXNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H12.2C12H16.8CH4/c3*1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-10-6-5-9-12(10)11-7-3-2-4-8-11;;;;;;;;/h3*2-10H,1H3;2*2-4,7-8,10,12H,5-6,9H2,1H3;8*1H4.
What are the key properties of methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)?
methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene) has a molecular weight of 953.58 g/mol, XLogP of 23.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene) is sourced from PubChem (CID 162268984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).