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

C119H98 — CID 162049934

IUPAC1-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
SMILESCc1cc(-c2ccccc2)c2ccccc2c1.Cc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C23H18.3C17H14.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;3*2-12H,1H3;2*2-8H,1H3
InChIKeyYYKKCAUOYQEAOC-UHFFFAOYSA-N
MW1528.09 g/mol
LogP33.71
Rot. Bonds7

About 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

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 (PubChem CID 162049934) has the molecular formula C119H98 and a molecular weight of 1528.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162049934
Molecular FormulaC119H98
Molecular Weight1528.09 g/mol
Exact Mass1526.77
IUPAC Name1-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
SMILESCc1cc(-c2ccccc2)c2ccccc2c1.Cc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
InChIInChI=1S/2C23H18.3C17H14.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;3*2-12H,1H3;2*2-8H,1H3
InChIKeyYYKKCAUOYQEAOC-UHFFFAOYSA-N
XLogP33.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.09
LogP ≤ 533.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene;4-(3-methyl-5-pyridin-4-ylphenyl)pyridine;5-(3-methyl-5-pyrimidin-5-ylphenyl)pyrimidine
CID 157170679
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;9-[3,5-bis(3-methylphenanthren-9-yl)phenyl]-3-methylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1,4-dinaphthalen-2-ylnaphthalene;1,5-dinaphthalen-2-ylnaphthalene
CID 162097348
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
ethane;1-methyl-3,5-diphenylbenzene;1-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 159021382
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 158936046
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccccc2)c2ccccc2c1.Cc1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1.Cc1cc(-c2ccccc2)cc(-c2cccc3ccccc23)c1.Cc1ccc2c(-c3ccccc3)cccc2c1.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.
What is the InChIKey of 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?
The InChIKey is YYKKCAUOYQEAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18.3C17H14.2C11H10/c1-17-14-20(18-8-3-2-4-9-18)16-21(15-17)23-13-7-11-19-10-5-6-12-22(19)23;1-17-13-22(18-7-3-2-4-8-18)16-23(14-17)21-12-11-19-9-5-6-10-20(19)15-21;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-13-10-11-17-15(12-13)8-5-9-16(17)14-6-3-2-4-7-14;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9/h2*2-16H,1H3;3*2-12H,1H3;2*2-8H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1528.09 g/mol, XLogP of 33.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162049934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).