benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)

C202H314 — CID 162023657

IUPACbenzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)
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.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H14.C12H18.C11H16.5C10H8.C9H12.2C8H10.4C6H6.26C2H6/c2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-6-8(2)10(4)11(5)9(7)3;5*1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-5-8(2)9(3)6-7;2*1-7-3-5-8(2)6-4-7;4*1-2-4-6-5-3-1;26*1-2/h2*3-10H,1-2H3;1-6H3;6H,1-5H3;5*1-8H;4-6H,1-3H3;2*3-6H,1-2H3;4*1-6H;26*1-2H3
InChIKeyYVBSGVHZSSDGHD-UHFFFAOYSA-N
MW2742.73 g/mol
LogP69.55
Rot. Bonds2

About benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)

benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) (PubChem CID 162023657) has the molecular formula C202H314 and a molecular weight of 2742.73 g/mol. Its IUPAC name is benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene).

Molecular Properties

Compound Namebenzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)
PubChem CID162023657
Molecular FormulaC202H314
Molecular Weight2742.73 g/mol
Exact Mass2740.46
IUPAC Namebenzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)
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.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C14H14.C12H18.C11H16.5C10H8.C9H12.2C8H10.4C6H6.26C2H6/c2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-6-8(2)10(4)11(5)9(7)3;5*1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-5-8(2)9(3)6-7;2*1-7-3-5-8(2)6-4-7;4*1-2-4-6-5-3-1;26*1-2/h2*3-10H,1-2H3;1-6H3;6H,1-5H3;5*1-8H;4-6H,1-3H3;2*3-6H,1-2H3;4*1-6H;26*1-2H3
InChIKeyYVBSGVHZSSDGHD-UHFFFAOYSA-N
XLogP69.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002742.73
LogP ≤ 569.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) with MolForge

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Related Compounds

1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;tris(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 158819449
1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159639769
1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 159354320
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161126825
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 159076135
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
1,2,4-trimethylbenzene
CID 7247
2-(2,5-dimethylphenyl)naphthalene
CID 59648717

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)?
The IUPAC name of benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) (CID 162023657) is benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene).
What is the SMILES notation for benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)?
The canonical SMILES for benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) 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.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)c(C)c1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)?
The InChIKey is YVBSGVHZSSDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14.C12H18.C11H16.5C10H8.C9H12.2C8H10.4C6H6.26C2H6/c2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-6-8(2)10(4)11(5)9(7)3;5*1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-5-8(2)9(3)6-7;2*1-7-3-5-8(2)6-4-7;4*1-2-4-6-5-3-1;26*1-2/h2*3-10H,1-2H3;1-6H3;6H,1-5H3;5*1-8H;4-6H,1-3H3;2*3-6H,1-2H3;4*1-6H;26*1-2H3.
What are the key properties of benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene)?
benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) has a molecular weight of 2742.73 g/mol, XLogP of 69.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1,2,3,4,5,6-hexamethylbenzene;bis(1-methyl-4-(4-methylphenyl)benzene);naphthalene;1,2,3,4,5-pentamethylbenzene;1,2,4-trimethylbenzene;bis(1,4-xylene) is sourced from PubChem (CID 162023657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).