anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene

C253H348F6O11 — CID 161050532

IUPACanisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene
SMILESC#CC.C#CC.C#CC.C#CC.C#CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C25H18.C18H14.3C12H10.3C10H8.C7H8O.2C7H8.3C6H6.C5H6F6.C5H12.C3H8.5C3H4.10C2H6O.16C2H6/c2*1-3-11-19(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;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;16*1-3-2;16*1-2/h2*1-18H;1-14H;3*1-10H;3*1-8H;2-6H,1H3;2*2-6H,1H3;3*1-6H;1-2H3;1-4H3;3H2,1-2H3;5*1H,2H3;10*1-2H3;16*1-2H3
InChIKeyUCBRPPRROBFMGI-UHFFFAOYSA-N
MW3679.54 g/mol
LogP75.29
Rot. Bonds10

About anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene

anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene (PubChem CID 161050532) has the molecular formula C253H348F6O11 and a molecular weight of 3679.54 g/mol. Its IUPAC name is anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene.

Molecular Properties

Compound Nameanisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene
PubChem CID161050532
Molecular FormulaC253H348F6O11
Molecular Weight3679.54 g/mol
Exact Mass3676.66
IUPAC Nameanisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene
SMILESC#CC.C#CC.C#CC.C#CC.C#CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C25H18.C18H14.3C12H10.3C10H8.C7H8O.2C7H8.3C6H6.C5H6F6.C5H12.C3H8.5C3H4.10C2H6O.16C2H6/c2*1-3-11-19(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;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;16*1-3-2;16*1-2/h2*1-18H;1-14H;3*1-10H;3*1-8H;2-6H,1H3;2*2-6H,1H3;3*1-6H;1-2H3;1-4H3;3H2,1-2H3;5*1H,2H3;10*1-2H3;16*1-2H3
InChIKeyUCBRPPRROBFMGI-UHFFFAOYSA-N
XLogP75.29
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003679.54
LogP ≤ 575.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene with MolForge

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Related Compounds

bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-diphenylfluorene;propane
CID 158205050
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
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
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methoxyphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 165011248
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
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

Frequently Asked Questions

What is the IUPAC name of anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene?
The IUPAC name of anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene (CID 161050532) is anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene.
What is the SMILES notation for anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene?
The canonical SMILES for anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene is C#CC.C#CC.C#CC.C#CC.C#CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CCC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COC.COc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene?
The InChIKey is UCBRPPRROBFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18.C18H14.3C12H10.3C10H8.C7H8O.2C7H8.3C6H6.C5H6F6.C5H12.C3H8.5C3H4.10C2H6O.16C2H6/c2*1-3-11-19(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;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3*1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;2*1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;16*1-3-2;16*1-2/h2*1-18H;1-14H;3*1-10H;3*1-8H;2-6H,1H3;2*2-6H,1H3;3*1-6H;1-2H3;1-4H3;3H2,1-2H3;5*1H,2H3;10*1-2H3;16*1-2H3.
What are the key properties of anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene?
anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene has a molecular weight of 3679.54 g/mol, XLogP of 75.29, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzene;tris(1,1'-biphenyl);2,2-dimethylpropane;1,4-diphenylbenzene;bis(9,9-diphenylfluorene);ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;naphthalene;propane;pentakis(prop-1-yne);toluene is sourced from PubChem (CID 161050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).