benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene

C275H402F2O2 — CID 160785697

IUPACbenzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene
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(C)(C)C.CC(C)(C)C.CC(C)(F)F.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC.CCC.CCC.CCC.CCC(C)(C)C.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H14O2.C20H18.2C18H20.C13H12.C10H8.12C6H6.C6H14.2C5H12.C3H6F2.4C3H8.24C2H6/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;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2,4)5;4*1-3-2;24*1-2/h1-18H;1-14H;2-16H,1H3;4-12H,13H2,1-3H3;1-2,4-7,10-13H,3,8-9,14-15H2;1-10H,11H2;1-8H;12*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;4*3H2,1-2H3;24*1-2H3
InChIKeySBEHAXRDSRWJKC-UHFFFAOYSA-N
MW3778.23 g/mol
LogP89.71
Rot. Bonds12

About benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene

benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene (PubChem CID 160785697) has the molecular formula C275H402F2O2 and a molecular weight of 3778.23 g/mol. Its IUPAC name is benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene.

Molecular Properties

Compound Namebenzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene
PubChem CID160785697
Molecular FormulaC275H402F2O2
Molecular Weight3778.23 g/mol
Exact Mass3775.13
IUPAC Namebenzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene
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(C)(C)C.CC(C)(C)C.CC(C)(F)F.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC.CCC.CCC.CCC.CCC(C)(C)C.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C25H18.C20H14O2.C20H18.2C18H20.C13H12.C10H8.12C6H6.C6H14.2C5H12.C3H6F2.4C3H8.24C2H6/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;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2,4)5;4*1-3-2;24*1-2/h1-18H;1-14H;2-16H,1H3;4-12H,13H2,1-3H3;1-2,4-7,10-13H,3,8-9,14-15H2;1-10H,11H2;1-8H;12*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;4*3H2,1-2H3;24*1-2H3
InChIKeySBEHAXRDSRWJKC-UHFFFAOYSA-N
XLogP89.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms279
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003778.23
LogP ≤ 589.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene with MolForge

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Related Compounds

benzene;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;ethane;methoxymethane;methylsulfonylmethane;propan-2-one;1,1,3-trimethyl-3-phenyl-2H-indene
CID 159049412
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
adamantane;benzene;1,1-diphenylcyclodecane;1,1-diphenylcyclododecane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane
CID 163641470
3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
CID 159855118
benzene;benzylbenzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;methylsulfanylmethane;methylsulfonylmethane;naphthalene;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;propan-2-one
CID 159226551
benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene
CID 159859551
bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene);benzene;benzylbenzene;bis(1,1'-biphenyl);cyclohexane;bis(9,9-diphenylfluorene);ethane;methane;naphthalene;toluene
CID 160813264
1-(benzenesulfonyl)-4-methylbenzene;1-benzyl-4-methylbenzene;3,3-bis(4-methylphenyl)-2-benzofuran-1-one;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene;1-methylnaphthalene;1-methyl-4-phenylbenzene;(4-methylphenyl)-phenylmethanone;1-methyl-4-phenylsulfanylbenzene;(1-phenylcyclohexyl)benzene;2-phenylpropan-2-ylbenzene;toluene;1,2,3-trimethyl-5-[2-(3,4,5-trimethylphenyl)propan-2-yl]benzene
CID 160730726
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
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
3-(4-ethylphenyl)-3-[4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]phenyl]-2-benzofuran-1-one
CID 164975256
9,9-diphenylfluorene;propane
CID 158205050

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene?
The IUPAC name of benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene (CID 160785697) is benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene.
What is the SMILES notation for benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene?
The canonical SMILES for benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene 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(C)(C)C.CC(C)(C)C.CC(C)(F)F.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.CCC.CCC.CCC.CCC.CCC(C)(C)C.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(C2(c3ccccc3)CCCCC2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene?
The InChIKey is SBEHAXRDSRWJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C20H14O2.C20H18.2C18H20.C13H12.C10H8.12C6H6.C6H14.2C5H12.C3H6F2.4C3H8.24C2H6/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;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-4-10-16(11-5-1)18(14-8-3-9-15-18)17-12-6-2-7-13-17;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;1-5-6(2,3)4;2*1-5(2,3)4;1-3(2,4)5;4*1-3-2;24*1-2/h1-18H;1-14H;2-16H,1H3;4-12H,13H2,1-3H3;1-2,4-7,10-13H,3,8-9,14-15H2;1-10H,11H2;1-8H;12*1-6H;5H2,1-4H3;2*1-4H3;1-2H3;4*3H2,1-2H3;24*1-2H3.
What are the key properties of benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene?
benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene has a molecular weight of 3778.23 g/mol, XLogP of 89.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene is sourced from PubChem (CID 160785697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).