anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene

C160H288F6O6S3 — CID 162268822

IUPACanthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2CCC1C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.Cc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C15H16.C14H14O.C14H10.C14H14.C13H10.C10H8.C9H12.C7H12.C5H6F6.C5H12.C4H10.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.9C2H6.18CH4/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-8(2)6-9(3)5-7;1-2-7-4-3-6(1)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;9*1-2;;;;;;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;3-10H,1-2H3;1-10H;3-10H,1-2H3;1-9,13H;1-8H;4-6H,1-3H3;6-7H,1-5H2;1-2H3;1-4H3;4H,1-3H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;9*1-2H3;18*1H4
InChIKeyLDUYURIKURQMJJ-UHFFFAOYSA-N
MW2518.25 g/mol
LogP57.14
Rot. Bonds5

About anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene

anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene (PubChem CID 162268822) has the molecular formula C160H288F6O6S3 and a molecular weight of 2518.25 g/mol. Its IUPAC name is anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameanthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene
PubChem CID162268822
Molecular FormulaC160H288F6O6S3
Molecular Weight2518.25 g/mol
Exact Mass2516.13
IUPAC Nameanthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2CCC1C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.Cc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C15H16.C14H14O.C14H10.C14H14.C13H10.C10H8.C9H12.C7H12.C5H6F6.C5H12.C4H10.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.9C2H6.18CH4/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-8(2)6-9(3)5-7;1-2-7-4-3-6(1)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;9*1-2;;;;;;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;3-10H,1-2H3;1-10H;3-10H,1-2H3;1-9,13H;1-8H;4-6H,1-3H3;6-7H,1-5H2;1-2H3;1-4H3;4H,1-3H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;9*1-2H3;18*1H4
InChIKeyLDUYURIKURQMJJ-UHFFFAOYSA-N
XLogP57.14
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002518.25
LogP ≤ 557.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene?
The IUPAC name of anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene (CID 162268822) is anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene.
What is the SMILES notation for anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene?
The canonical SMILES for anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CC2=CC=CC3=CC=CC(=C1)C23.C1CC2CCC1C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.CC(C)C.CCC.COC.CS(C)(=O)=O.CS(C)=O.CSC.Cc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.
What is the InChIKey of anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene?
The InChIKey is LDUYURIKURQMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C14H14O.C14H10.C14H14.C13H10.C10H8.C9H12.C7H12.C5H6F6.C5H12.C4H10.C3H6O.C3H8.C2H6O2S.C2H6OS.C2H6O.C2H6S.9C2H6.18CH4/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-8(2)6-9(3)5-7;1-2-7-4-3-6(1)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-4(2)3;1-3(2)4;1-3-2;1-5(2,3)4;1-4(2)3;2*1-3-2;9*1-2;;;;;;;;;;;;;;;;;;/h3-10H,11H2,1-2H3;3-10H,1-2H3;1-10H;3-10H,1-2H3;1-9,13H;1-8H;4-6H,1-3H3;6-7H,1-5H2;1-2H3;1-4H3;4H,1-3H3;1-2H3;3H2,1-2H3;1-2H3;1-2H3;2*1-2H3;9*1-2H3;18*1H4.
What are the key properties of anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene?
anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene has a molecular weight of 2518.25 g/mol, XLogP of 57.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;bicyclo[2.2.1]heptane;9bH-phenalene;2,2-dimethylpropane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;2-methylpropane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;naphthalene;propane;propan-2-one;1,3,5-trimethylbenzene is sourced from PubChem (CID 162268822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).