1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene

C85H70 — CID 160584062

IUPAC1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1cccc(-c2ccc3ccccc3c2)c1.Cc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/5C17H14/c1-13-6-2-5-9-17(13)16-11-10-14-7-3-4-8-15(14)12-16;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h5*2-12H,1H3
InChIKeyRCDRHAFXUUZFAZ-UHFFFAOYSA-N
MW1091.49 g/mol
LogP24.08
Rot. Bonds5

About 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene

1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene (PubChem CID 160584062) has the molecular formula C85H70 and a molecular weight of 1091.49 g/mol. Its IUPAC name is 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene.

Molecular Properties

Compound Name1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
PubChem CID160584062
Molecular FormulaC85H70
Molecular Weight1091.49 g/mol
Exact Mass1090.55
IUPAC Name1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1cccc(-c2ccc3ccccc3c2)c1.Cc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/5C17H14/c1-13-6-2-5-9-17(13)16-11-10-14-7-3-4-8-15(14)12-16;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h5*2-12H,1H3
InChIKeyRCDRHAFXUUZFAZ-UHFFFAOYSA-N
XLogP24.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.49
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
CID 161461393
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422
1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene
CID 157429164
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
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene?
The IUPAC name of 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene (CID 160584062) is 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene.
What is the SMILES notation for 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene?
The canonical SMILES for 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene is Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1cccc(-c2ccc3ccccc3c2)c1.Cc1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene?
The InChIKey is RCDRHAFXUUZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H14/c1-13-6-2-5-9-17(13)16-11-10-14-7-3-4-8-15(14)12-16;1-13-5-4-8-15(11-13)17-10-9-14-6-2-3-7-16(14)12-17;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h5*2-12H,1H3.
What are the key properties of 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene?
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene has a molecular weight of 1091.49 g/mol, XLogP of 24.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene is sourced from PubChem (CID 160584062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).