benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene

C87H130 — CID 158985546

IUPACbenzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H26.C15H16.C13H12.C12H10.C6H6.10C2H6/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;10*1-2/h4-13,17H,14-16H2,1-3H3;3-12H,1-2H3;1-10H,11H2;1-10H;1-6H;10*1-2H3
InChIKeyJPNIRQDLNYANPF-UHFFFAOYSA-N
MW1176.00 g/mol
LogP28.41
Rot. Bonds7

About benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene

benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene (PubChem CID 158985546) has the molecular formula C87H130 and a molecular weight of 1176.00 g/mol. Its IUPAC name is benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene.

Molecular Properties

Compound Namebenzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
PubChem CID158985546
Molecular FormulaC87H130
Molecular Weight1176.00 g/mol
Exact Mass1175.02
IUPAC Namebenzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H26.C15H16.C13H12.C12H10.C6H6.10C2H6/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;10*1-2/h4-13,17H,14-16H2,1-3H3;3-12H,1-2H3;1-10H,11H2;1-10H;1-6H;10*1-2H3
InChIKeyJPNIRQDLNYANPF-UHFFFAOYSA-N
XLogP28.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001176.00
LogP ≤ 528.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;benzylbenzene;1,1'-biphenyl;ethane;methane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 157060518
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 140618544
carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
CID 170852882
benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,1'-biphenyl;1,3-dibenzylbenzene;1,4-dibenzylbenzene;9,9-diphenylfluorene;ethane;2-phenylpropan-2-ylbenzene
CID 160849970
benzene;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] acetate;bis(propan-2-one)
CID 159006703
3-[1-(3-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol;2-phenylbicyclo[2.2.0]hexa-1,3,5-triene
CID 174744399
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
CID 142418474
4-[1-(4-carbonochloridoylphenyl)-3,3,5-trimethylcyclohexyl]benzoyl chloride
CID 14833076
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol;1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol;1,3-bis[4-[3,3,5-trimethyl-1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]propan-2-ol
CID 161253060
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene (CID 158985546) is benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene.
What is the SMILES notation for benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The canonical SMILES for benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1.c1ccc(-c2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The InChIKey is JPNIRQDLNYANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26.C15H16.C13H12.C12H10.C6H6.10C2H6/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1;10*1-2/h4-13,17H,14-16H2,1-3H3;3-12H,1-2H3;1-10H,11H2;1-10H;1-6H;10*1-2H3.
What are the key properties of benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene has a molecular weight of 1176.00 g/mol, XLogP of 28.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene is sourced from PubChem (CID 158985546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).