2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene

C89H76 — CID 158097915

IUPAC2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/4C15H12.2C11H10.C7H8/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;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;1-7-5-3-2-4-6-7/h4*2-10H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyFOWUURXXKDWBFS-UHFFFAOYSA-N
MW1145.59 g/mol
LogP25.50
Rot. Bonds

About 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene

2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene (PubChem CID 158097915) has the molecular formula C89H76 and a molecular weight of 1145.59 g/mol. Its IUPAC name is 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene.

Molecular Properties

Compound Name2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
PubChem CID158097915
Molecular FormulaC89H76
Molecular Weight1145.59 g/mol
Exact Mass1144.59
IUPAC Name2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
SMILESCc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/4C15H12.2C11H10.C7H8/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;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;1-7-5-3-2-4-6-7/h4*2-10H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyFOWUURXXKDWBFS-UHFFFAOYSA-N
XLogP25.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.59
LogP ≤ 525.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
2,6-dimethylanthracene;9,10-dimethylanthracene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;1,6-dimethylpyrene;4,9-dimethylpyrene
CID 159763691
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
CID 159147015
anthracene;benzene;9,10-dimethylanthracene;ethane;9-methylanthracene;naphthalene;propane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158806835
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1-methylanthracene;2-methylanthracene;9-methylanthracene;4-(10-methylanthracen-9-yl)benzo[a]anthracene;9-methyl-10-naphthalen-1-ylanthracene;9-methyl-10-phenanthren-1-ylanthracene
CID 161395588
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
9-methylanthracene;2-methylnaphthalene
CID 159699144
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 162072402
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932

Frequently Asked Questions

What is the IUPAC name of 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene?
The IUPAC name of 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene (CID 158097915) is 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene.
What is the SMILES notation for 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene?
The canonical SMILES for 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene is Cc1c2ccccc2cc2ccccc12.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene?
The InChIKey is FOWUURXXKDWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H12.2C11H10.C7H8/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;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;1-7-5-3-2-4-6-7/h4*2-10H,1H3;2*2-8H,1H3;2-6H,1H3.
What are the key properties of 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene?
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene has a molecular weight of 1145.59 g/mol, XLogP of 25.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene is sourced from PubChem (CID 158097915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).