1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene

C234H239Cl2N9OS — CID 172955688

IUPAC1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene
SMILESCC1=CC=C(C)C1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1.Cc1ccc(C#Cc2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc2c(C)cccc12.Cc1cnc(C)nc1
InChIInChI=1S/C20H18.C18H16N2.C18H16.C16H16N2.C16H14.C16H18.C16H16.C16H14.C14H12Cl2.C14H14.2C12H12.C8H10.C7H9N.C7H10.2C6H8N2.C6H8O.C6H8S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;2*1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12;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;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5/h3-14H,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;5-10H,1-4H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3/b;;;17-11+,18-12+;;;12-11+;;;;;;;;;;;;
InChIKeyZIBOPPLQZXAGMI-NHDHIQCGSA-N
MW3296.52 g/mol
LogP65.21
Rot. Bonds13

About 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene

1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene (PubChem CID 172955688) has the molecular formula C234H239Cl2N9OS and a molecular weight of 3296.52 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene.

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene
PubChem CID172955688
Molecular FormulaC234H239Cl2N9OS
Molecular Weight3296.52 g/mol
Exact Mass3292.80
IUPAC Name1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene
SMILESCC1=CC=C(C)C1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1.Cc1ccc(C#Cc2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc2c(C)cccc12.Cc1cnc(C)nc1
InChIInChI=1S/C20H18.C18H16N2.C18H16.C16H16N2.C16H14.C16H18.C16H16.C16H14.C14H12Cl2.C14H14.2C12H12.C8H10.C7H9N.C7H10.2C6H8N2.C6H8O.C6H8S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;2*1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12;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;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5/h3-14H,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;5-10H,1-4H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3/b;;;17-11+,18-12+;;;12-11+;;;;;;;;;;;;
InChIKeyZIBOPPLQZXAGMI-NHDHIQCGSA-N
XLogP65.21
TPSA128.09 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003296.52
LogP ≤ 565.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene with MolForge

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Related Compounds

1-Chloro-2-propan-2-ylbenzene;cumene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 161187809
4-(4-Dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 157072887
2,5-Dimethylfuran;2,7-dimethylphenanthrene;bis(2,5-dimethylpyrazine);2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157089018
2,5-Dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);bis(2,6-dimethyl-1,2,3,4-tetrahydronaphthalene);2,5-dimethylthiophene;bis(1,2,3,7,8-pentamethylnaphthalene);1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 157142278
3,7-Dimethyl-1,2-dihydronaphthalene;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157185249
2,5-Dimethylfuran;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157428980
2,5-Dimethylfuran;1,3-dimethylisoquinoline;2,7-dimethylphenanthrene;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 157484231
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,5-dimethylfuran;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4,5-tetrazine;2,5-dimethylthiophene;3,6-dimethyl-1,2,4-triazine;ethane;1-methyl-4-(4-methylphenyl)benzene;naphthalene;1,4-xylene;tetradecakis(yttrium)
CID 157687333
2,5-Dimethylfuran;1,3-dimethylisoquinoline;2,7-dimethylphenanthrene;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,4-dimethylquinoline;2,5-dimethylthiophene;ethane;2,4,6-trimethyl-1,3,5-triazine
CID 158026799
1,4-Dimethylcyclohexane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,4-xylene
CID 158058270
2,5-Dimethylfuran;2,7-dimethylphenanthrene;2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylpyrimidine;4,6-dimethylpyrimidine;2,4-dimethylquinazoline;2,5-dimethylthiophene;bis(2,4-dimethyl-1,3,5-triazine);ethane
CID 158235979
4-Tert-butylbenzamide;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;3-tert-butyl-5-chloropyridine;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;2-tert-butyl-5-methylfuran;2-tert-butyl-5-methylthiophene;1-tert-butyl-4-phenylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-2-phenylpyridine;5-tert-butyl-2-phenylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine
CID 158328764

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene (CID 172955688) is 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene.
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene is CC1=CC=C(C)C1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(Cl)c2)cc1Cl.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cnc(-c3ccc(C)cc3)nc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1.Cc1ccc(C#Cc2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1cccc2c(C)cccc12.Cc1cnc(C)nc1.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene?
The InChIKey is ZIBOPPLQZXAGMI-NHDHIQCGSA-N. The full InChI is InChI=1S/C20H18.C18H16N2.C18H16.C16H16N2.C16H14.C16H18.C16H16.C16H14.C14H12Cl2.C14H14.2C12H12.C8H10.C7H9N.C7H10.2C6H8N2.C6H8O.C6H8S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17-11-19-18(20-12-17)16-9-5-14(2)6-10-16;1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;2*1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12;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;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;2*1-5-3-4-6(2)7-5/h3-14H,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;3-10H,1-2H3;5-10H,1-4H3;3-12H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4H,5H2,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3/b;;;17-11+,18-12+;;;12-11+;;;;;;;;;;;;.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene?
1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene has a molecular weight of 3296.52 g/mol, XLogP of 65.21, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2-chloro-4-(3-chloro-4-methylphenyl)-1-methylbenzene;2,6-dimethylanthracene;1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethylthiophene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-6-(4-methylphenyl)naphthalene;(E)-1-(4-methylphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]methanimine;1,4-xylene is sourced from PubChem (CID 172955688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).