1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene

C180H166 — CID 161461393

IUPAC1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
SMILESCc1cc2ccccc2cc1C.Cc1ccc(-c2cc(C)cc3ccccc23)cc1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3C)c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(-c2cccc3cc(C)ccc23)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2cccc(C)c12
InChIInChI=1S/3C20H18.4C18H16.4C12H12/c1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-10-12-17(13-11-15)18-7-5-8-19(14-18)20-9-4-3-6-16(20)2;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-6-9-15(10-7-13)17-5-3-4-16-12-14(2)8-11-18(16)17;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-9-15(10-8-13)18-12-14(2)11-16-5-3-4-6-17(16)18;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3*3-14H,1-2H3;4*3-12H,1-2H3;4*3-8H,1-2H3
InChIKeyWBWAPPASEUARKC-UHFFFAOYSA-N
MW2329.31 g/mol
LogP51.23
Rot. Bonds10

About 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene

1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene (PubChem CID 161461393) has the molecular formula C180H166 and a molecular weight of 2329.31 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
PubChem CID161461393
Molecular FormulaC180H166
Molecular Weight2329.31 g/mol
Exact Mass2327.30
IUPAC Name1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
SMILESCc1cc2ccccc2cc1C.Cc1ccc(-c2cc(C)cc3ccccc23)cc1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3C)c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(-c2cccc3cc(C)ccc23)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2cccc(C)c12
InChIInChI=1S/3C20H18.4C18H16.4C12H12/c1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-10-12-17(13-11-15)18-7-5-8-19(14-18)20-9-4-3-6-16(20)2;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-6-9-15(10-7-13)17-5-3-4-16-12-14(2)8-11-18(16)17;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-9-15(10-8-13)18-12-14(2)11-16-5-3-4-6-17(16)18;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3*3-14H,1-2H3;4*3-12H,1-2H3;4*3-8H,1-2H3
InChIKeyWBWAPPASEUARKC-UHFFFAOYSA-N
XLogP51.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002329.31
LogP ≤ 551.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene with MolForge

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Related Compounds

1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422
1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene
CID 157429164
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene (CID 161461393) is 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene is Cc1cc2ccccc2cc1C.Cc1ccc(-c2cc(C)cc3ccccc23)cc1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3C)c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(-c2cccc3cc(C)ccc23)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2cccc(C)c12.
What is the InChIKey of 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene?
The InChIKey is WBWAPPASEUARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H18.4C18H16.4C12H12/c1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-10-12-17(13-11-15)18-7-5-8-19(14-18)20-9-4-3-6-16(20)2;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-6-9-15(10-7-13)17-5-3-4-16-12-14(2)8-11-18(16)17;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-9-15(10-8-13)18-12-14(2)11-16-5-3-4-6-17(16)18;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3*3-14H,1-2H3;4*3-12H,1-2H3;4*3-8H,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene?
1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene has a molecular weight of 2329.31 g/mol, XLogP of 51.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 161461393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).