2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene

C105H88 — CID 158886123

IUPAC2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
SMILESCc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2ccccc12
InChIInChI=1S/4C17H14.C15H12.2C11H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;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/h4*2-12H,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyJDQOVQYWSBPMBG-UHFFFAOYSA-N
MW1349.86 g/mol
LogP29.86
Rot. Bonds4

About 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene

2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene (PubChem CID 158886123) has the molecular formula C105H88 and a molecular weight of 1349.86 g/mol. Its IUPAC name is 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene.

Molecular Properties

Compound Name2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
PubChem CID158886123
Molecular FormulaC105H88
Molecular Weight1349.86 g/mol
Exact Mass1348.69
IUPAC Name2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
SMILESCc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2ccccc12
InChIInChI=1S/4C17H14.C15H12.2C11H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;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/h4*2-12H,1H3;2-10H,1H3;2*2-8H,1H3
InChIKeyJDQOVQYWSBPMBG-UHFFFAOYSA-N
XLogP29.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.86
LogP ≤ 529.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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-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;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
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-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
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
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
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422

Frequently Asked Questions

What is the IUPAC name of 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene?
The IUPAC name of 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene (CID 158886123) is 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene.
What is the SMILES notation for 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene?
The canonical SMILES for 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene is Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2ccccc12.
What is the InChIKey of 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene?
The InChIKey is JDQOVQYWSBPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H14.C15H12.2C11H10/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;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/h4*2-12H,1H3;2-10H,1H3;2*2-8H,1H3.
What are the key properties of 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene?
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene has a molecular weight of 1349.86 g/mol, XLogP of 29.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene is sourced from PubChem (CID 158886123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).