1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

C69H68 — CID 163621135

IUPAC1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H18.C15H14.C14H14.C12H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-7-3-5-8(2)6-4-7/h3-14H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyHOEUKNUYLQJCMM-UHFFFAOYSA-N
MW897.30 g/mol
LogP19.24
Rot. Bonds3

About 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (PubChem CID 163621135) has the molecular formula C69H68 and a molecular weight of 897.30 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
PubChem CID163621135
Molecular FormulaC69H68
Molecular Weight897.30 g/mol
Exact Mass896.53
IUPAC Name1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H18.C15H14.C14H14.C12H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-7-3-5-8(2)6-4-7/h3-14H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
InChIKeyHOEUKNUYLQJCMM-UHFFFAOYSA-N
XLogP19.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.30
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
CID 159175556
2-bromo-7-methyl-9H-fluorene
CID 21041918
butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (CID 163621135) is 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The InChIKey is HOEUKNUYLQJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C15H14.C14H14.C12H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-7-3-5-8(2)6-4-7/h3-14H,1-2H3;3-8H,9H2,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene has a molecular weight of 897.30 g/mol, XLogP of 19.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is sourced from PubChem (CID 163621135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).