1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene

C22H18 — CID 143742447

IUPAC1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
SMILESCc1ccc2ccc(-c3ccc4c(C)cccc4c3)cc2c1
InChIInChI=1S/C22H18/c1-15-6-7-17-8-9-18(14-21(17)12-15)19-10-11-22-16(2)4-3-5-20(22)13-19/h3-14H,1-2H3
InChIKeyXORSLNKGWWPXEF-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.28
Rot. Bonds1

About 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene

1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene (PubChem CID 143742447) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
PubChem CID143742447
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
SMILESCc1ccc2ccc(-c3ccc4c(C)cccc4c3)cc2c1
InChIInChI=1S/C22H18/c1-15-6-7-17-8-9-18(14-21(17)12-15)19-10-11-22-16(2)4-3-5-20(22)13-19/h3-14H,1-2H3
InChIKeyXORSLNKGWWPXEF-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,6-dimethylanthracene;ethane
CID 142009331
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene?
The IUPAC name of 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene (CID 143742447) is 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene is Cc1ccc2ccc(-c3ccc4c(C)cccc4c3)cc2c1.
What is the InChIKey of 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene?
The InChIKey is XORSLNKGWWPXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-15-6-7-17-8-9-18(14-21(17)12-15)19-10-11-22-16(2)4-3-5-20(22)13-19/h3-14H,1-2H3.
What are the key properties of 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene?
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene has a molecular weight of 282.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 143742447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).