1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene

C176H267N5 — CID 159213638

IUPAC1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C16H14.C15H16.C14H20.C13H13N.C12H12N2.C12H12.2C11H11N.C8H10.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-3-5-8(2)6-4-7;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;21*1-2H3
InChIKeyKQUOPZXFFZAHLV-UHFFFAOYSA-N
MW2453.11 g/mol
LogP57.42
Rot. Bonds9

About 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene

1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene (PubChem CID 159213638) has the molecular formula C176H267N5 and a molecular weight of 2453.11 g/mol. Its IUPAC name is 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene.

Molecular Properties

Compound Name1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene
PubChem CID159213638
Molecular FormulaC176H267N5
Molecular Weight2453.11 g/mol
Exact Mass2451.10
IUPAC Name1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1
InChIInChI=1S/C22H22.C16H14.C15H16.C14H20.C13H13N.C12H12N2.C12H12.2C11H11N.C8H10.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-3-5-8(2)6-4-7;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;21*1-2H3
InChIKeyKQUOPZXFFZAHLV-UHFFFAOYSA-N
XLogP57.42
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002453.11
LogP ≤ 557.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene?
The IUPAC name of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene (CID 159213638) is 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene.
What is the SMILES notation for 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene?
The canonical SMILES for 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;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.Cc1ccc(-c2ccc(C)cn2)cc1.Cc1ccc(-c2ncc(C)cn2)cc1.Cc1ccc(C)cc1.Cc1ccc(C2CCC(C)CC2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(Cc3ccc(C)cc3)cc2)cc1.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc(C)ncc2c1.Cc1cnc2cc(C)ccc2c1.
What is the InChIKey of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene?
The InChIKey is KQUOPZXFFZAHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C16H14.C15H16.C14H20.C13H13N.C12H12N2.C12H12.2C11H11N.C8H10.21C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-4-10-5-9(2)7-12-11(10)6-8;1-8-3-4-10-6-9(2)12-7-11(10)5-8;1-7-3-5-8(2)6-4-7;21*1-2/h3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,11H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;21*1-2H3.
What are the key properties of 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene?
1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene has a molecular weight of 2453.11 g/mol, XLogP of 57.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methylphenyl)methyl]benzene;3,7-dimethylisoquinoline;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,7-dimethylquinoline;ethane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-(4-methylphenyl)pyrimidine;1,4-xylene is sourced from PubChem (CID 159213638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).