1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene

C267H232 — CID 159614590

IUPAC1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1cc2cccc3c4cccc5c(C)ccc(c(c1)c23)c54.Cc1ccc(C)cc1.Cc1ccc2c(c1)c(C)cc1ccccc12.Cc1ccc2c(c1)cc(C)c1cc(C)ccc12.Cc1ccc2c(c1)cc(C)c1ccccc12.Cc1ccc2c(ccc3c(C)cccc32)c1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c(ccc3ccc(C)cc32)c1.Cc1ccc2c3c(C)ccc4cccc(c5cccc1c52)c43.Cc1ccc2c3ccc(C)c4cccc(c5cccc1c52)c43.Cc1ccc2c3cccc4c(C)ccc(c5cccc1c52)c43.Cc1ccc2c3cccc4cccc(c5ccc(C)c1c25)c43.Cc1ccc2cccc(C)c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cccc(C)c12.Cc1ccccc1C
InChIInChI=1S/5C22H16.C17H16.5C16H14.3C12H12.3C8H10/c1-13-10-12-19-20-14(2)9-11-15-5-3-7-17(21(15)20)18-8-4-6-16(13)22(18)19;1-13-9-11-19-18-8-4-6-16-14(2)10-12-20(22(16)18)17-7-3-5-15(13)21(17)19;1-13-9-11-19-20-12-10-14(2)16-6-4-8-18(22(16)20)17-7-3-5-15(13)21(17)19;1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19;1-13-11-15-5-3-7-17-18-8-4-6-16-14(2)9-10-19(22(16)18)20(12-13)21(15)17;1-11-4-6-15-14(8-11)10-13(3)17-9-12(2)5-7-16(15)17;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)15;1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15;1-11-7-8-15-13(9-11)10-12(2)14-5-3-4-6-16(14)15;1-11-7-8-15-14-6-4-3-5-13(14)10-12(2)16(15)9-11;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5*3-12H,1-2H3;4-10H,1-3H3;5*3-10H,1-2H3;3*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyMNCYDEJURGDEFE-UHFFFAOYSA-N
MW3440.79 g/mol
LogP77.02
Rot. Bonds

About 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene

1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 159614590) has the molecular formula C267H232 and a molecular weight of 3440.79 g/mol. Its IUPAC name is 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID159614590
Molecular FormulaC267H232
Molecular Weight3440.79 g/mol
Exact Mass3437.82
IUPAC Name1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1cc2cccc3c4cccc5c(C)ccc(c(c1)c23)c54.Cc1ccc(C)cc1.Cc1ccc2c(c1)c(C)cc1ccccc12.Cc1ccc2c(c1)cc(C)c1cc(C)ccc12.Cc1ccc2c(c1)cc(C)c1ccccc12.Cc1ccc2c(ccc3c(C)cccc32)c1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c(ccc3ccc(C)cc32)c1.Cc1ccc2c3c(C)ccc4cccc(c5cccc1c52)c43.Cc1ccc2c3ccc(C)c4cccc(c5cccc1c52)c43.Cc1ccc2c3cccc4c(C)ccc(c5cccc1c52)c43.Cc1ccc2c3cccc4cccc(c5ccc(C)c1c25)c43.Cc1ccc2cccc(C)c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cccc(C)c12.Cc1ccccc1C
InChIInChI=1S/5C22H16.C17H16.5C16H14.3C12H12.3C8H10/c1-13-10-12-19-20-14(2)9-11-15-5-3-7-17(21(15)20)18-8-4-6-16(13)22(18)19;1-13-9-11-19-18-8-4-6-16-14(2)10-12-20(22(16)18)17-7-3-5-15(13)21(17)19;1-13-9-11-19-20-12-10-14(2)16-6-4-8-18(22(16)20)17-7-3-5-15(13)21(17)19;1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19;1-13-11-15-5-3-7-17-18-8-4-6-16-14(2)9-10-19(22(16)18)20(12-13)21(15)17;1-11-4-6-15-14(8-11)10-13(3)17-9-12(2)5-7-16(15)17;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)15;1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15;1-11-7-8-15-13(9-11)10-12(2)14-5-3-4-6-16(14)15;1-11-7-8-15-14-6-4-3-5-13(14)10-12(2)16(15)9-11;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5*3-12H,1-2H3;4-10H,1-3H3;5*3-10H,1-2H3;3*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyMNCYDEJURGDEFE-UHFFFAOYSA-N
XLogP77.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms267
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003440.79
LogP ≤ 577.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
2,6-dimethylanthracene;9,10-dimethylanthracene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;1,6-dimethylpyrene;4,9-dimethylpyrene
CID 159763691
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
1,5-dimethylanthracene;9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;9,10-dimethylphenanthrene;2,9-dimethyl-1,10-phenanthroline;2,8-dimethylquinoline;2,7-dimethyltriphenylene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162252070
2-methylperylene;3-methylperylene
CID 157412879
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
2,9,10-trimethylperylene
CID 58193405
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
ethane;1-methylchrysene;6-methylchrysene;3-methylfluoranthene;1-methyltriphenylene;2-methyltriphenylene
CID 158817490

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene (CID 159614590) is 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1cc2cccc3c4cccc5c(C)ccc(c(c1)c23)c54.Cc1ccc(C)cc1.Cc1ccc2c(c1)c(C)cc1ccccc12.Cc1ccc2c(c1)cc(C)c1cc(C)ccc12.Cc1ccc2c(c1)cc(C)c1ccccc12.Cc1ccc2c(ccc3c(C)cccc32)c1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c(ccc3ccc(C)cc32)c1.Cc1ccc2c3c(C)ccc4cccc(c5cccc1c52)c43.Cc1ccc2c3ccc(C)c4cccc(c5cccc1c52)c43.Cc1ccc2c3cccc4c(C)ccc(c5cccc1c52)c43.Cc1ccc2c3cccc4cccc(c5ccc(C)c1c25)c43.Cc1ccc2cccc(C)c2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1cccc2cccc(C)c12.Cc1ccccc1C.
What is the InChIKey of 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is MNCYDEJURGDEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H16.C17H16.5C16H14.3C12H12.3C8H10/c1-13-10-12-19-20-14(2)9-11-15-5-3-7-17(21(15)20)18-8-4-6-16(13)22(18)19;1-13-9-11-19-18-8-4-6-16-14(2)10-12-20(22(16)18)17-7-3-5-15(13)21(17)19;1-13-9-11-19-20-12-10-14(2)16-6-4-8-18(22(16)20)17-7-3-5-15(13)21(17)19;1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19;1-13-11-15-5-3-7-17-18-8-4-6-16-14(2)9-10-19(22(16)18)20(12-13)21(15)17;1-11-4-6-15-14(8-11)10-13(3)17-9-12(2)5-7-16(15)17;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-11-4-8-15-14(9-11)7-6-13-5-3-12(2)10-16(13)15;1-11-6-8-15-13(10-11)7-9-14-12(2)4-3-5-16(14)15;1-11-7-8-15-13(9-11)10-12(2)14-5-3-4-6-16(14)15;1-11-7-8-15-14-6-4-3-5-13(14)10-12(2)16(15)9-11;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-5-3-7-11-8-4-6-10(2)12(9)11;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h5*3-12H,1-2H3;4-10H,1-3H3;5*3-10H,1-2H3;3*3-8H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene?
1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 3440.79 g/mol, XLogP of 77.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159614590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).