benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane

C241H344F8S — CID 157363670

IUPACbenzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(F)F.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC.CCC(C)(c1ccccc1)c1ccccc1.CSC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H18.C18H20.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C3H6F2.2C3H8.C2H6S.25C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3(2,4)5;3*1-3-2;25*1-2/h1-18H;2-16H,1H3;1-2,4-7,10-13H,3,8-9,14-15H2;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;1-2H3;2*3H2,1-2H3;1-2H3;25*1-2H3
InChIKeyBIXUCMLSNGQTKJ-UHFFFAOYSA-N
MW3425.45 g/mol
LogP80.26
Rot. Bonds17

About benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane

benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane (PubChem CID 157363670) has the molecular formula C241H344F8S and a molecular weight of 3425.45 g/mol. Its IUPAC name is benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane.

Molecular Properties

Compound Namebenzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane
PubChem CID157363670
Molecular FormulaC241H344F8S
Molecular Weight3425.45 g/mol
Exact Mass3422.65
IUPAC Namebenzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(F)F.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC.CCC(C)(c1ccccc1)c1ccccc1.CSC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H18.C18H20.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C3H6F2.2C3H8.C2H6S.25C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3(2,4)5;3*1-3-2;25*1-2/h1-18H;2-16H,1H3;1-2,4-7,10-13H,3,8-9,14-15H2;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;1-2H3;2*3H2,1-2H3;1-2H3;25*1-2H3
InChIKeyBIXUCMLSNGQTKJ-UHFFFAOYSA-N
XLogP80.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003425.45
LogP ≤ 580.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane?
The IUPAC name of benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane (CID 157363670) is benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane.
What is the SMILES notation for benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane?
The canonical SMILES for benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(F)F.CC(C)(c1ccccc1)c1ccccc1.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC.CCC(C)(c1ccccc1)c1ccccc1.CSC.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane?
The InChIKey is BIXUCMLSNGQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C20H18.C18H20.C16H18.C15H10F6.C15H16.C13H12.C12H10.C10H8.6C6H6.C3H6F2.2C3H8.C2H6S.25C2H6/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;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;1-2-6-10-8-4-3-7-9(10)5-1;6*1-2-4-6-5-3-1;1-3(2,4)5;3*1-3-2;25*1-2/h1-18H;2-16H,1H3;1-2,4-7,10-13H,3,8-9,14-15H2;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H,11H2;1-10H;1-8H;6*1-6H;1-2H3;2*3H2,1-2H3;1-2H3;25*1-2H3.
What are the key properties of benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane?
benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane has a molecular weight of 3425.45 g/mol, XLogP of 80.26, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1,1'-biphenyl;2,2-difluoropropane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methylsulfanylmethane;naphthalene;2-phenylbutan-2-ylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;propane is sourced from PubChem (CID 157363670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).