methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)

C66H75N — CID 158321851

IUPACmethane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)
SMILESC.C.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C13H12.C11H10.C10H9N.2C8H10.2C7H8.2CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;;/h2-10H,1H3;2-8H,1H3;2-7H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*1H4
InChIKeyGOYGNBNWHDISQR-UHFFFAOYSA-N
MW882.33 g/mol
LogP19.22
Rot. Bonds1

About methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)

methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene) (PubChem CID 158321851) has the molecular formula C66H75N and a molecular weight of 882.33 g/mol. Its IUPAC name is methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene).

Molecular Properties

Compound Namemethane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)
PubChem CID158321851
Molecular FormulaC66H75N
Molecular Weight882.33 g/mol
Exact Mass881.59
IUPAC Namemethane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)
SMILESC.C.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C13H12.C11H10.C10H9N.2C8H10.2C7H8.2CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;;/h2-10H,1H3;2-8H,1H3;2-7H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*1H4
InChIKeyGOYGNBNWHDISQR-UHFFFAOYSA-N
XLogP19.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.33
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
methane;2-methyl-6-phenylnaphthalene
CID 144703390
2-methylnaphthalene chloride
CID 21193556
benzene;2-methylnaphthalene
CID 159438891
6-methylquinoline
CID 7059
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
6-(3-methylphenyl)quinoline
CID 4185278
2,3-dimethylpyrazine;2-methylnaphthalene
CID 142090044
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473

Frequently Asked Questions

What is the IUPAC name of methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)?
The IUPAC name of methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene) (CID 158321851) is methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene).
What is the SMILES notation for methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)?
The canonical SMILES for methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene) is C.C.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)?
The InChIKey is GOYGNBNWHDISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C11H10.C10H9N.2C8H10.2C7H8.2CH4/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-4-5-9-3-2-6-11-10(9)7-8;2*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;;/h2-10H,1H3;2-8H,1H3;2-7H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*1H4.
What are the key properties of methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)?
methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene) has a molecular weight of 882.33 g/mol, XLogP of 19.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene) is sourced from PubChem (CID 158321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).