2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene

C209H174 — CID 159686448

IUPAC2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
SMILESCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34.Cc1c2ccccc2cc2ccccc12.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2cc3ccccc3cc2c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1ccc1cc3ccccc3cc12.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C21H16.2C19H14.C19H16.C17H14.3C15H12.C14H12.2C13H12.2C11H10.C7H8/c1-13-6-7-19-15(8-13)10-17-12-20-16(11-21(17)19)9-14-4-2-3-5-18(14)20;1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18;1-13-10-16-11-14-6-2-3-7-15(14)12-19(16)18-9-5-4-8-17(13)18;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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/h2-8,11-12H,9-10H2,1H3;2*2-12H,1H3;2-14H,1H3;2-10,16-17H,1H3;3*2-10H,1H3;2-8H,9H2,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyMVVZZBPDGANTPY-UHFFFAOYSA-N
MW2685.69 g/mol
LogP57.50
Rot. Bonds4

About 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene

2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene (PubChem CID 159686448) has the molecular formula C209H174 and a molecular weight of 2685.69 g/mol. Its IUPAC name is 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene.

Molecular Properties

Compound Name2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
PubChem CID159686448
Molecular FormulaC209H174
Molecular Weight2685.69 g/mol
Exact Mass2683.36
IUPAC Name2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
SMILESCC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34.Cc1c2ccccc2cc2ccccc12.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2cc3ccccc3cc2c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1ccc1cc3ccccc3cc12.Cc1cccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C21H16.2C19H14.C19H16.C17H14.3C15H12.C14H12.2C13H12.2C11H10.C7H8/c1-13-6-7-19-15(8-13)10-17-12-20-16(11-21(17)19)9-14-4-2-3-5-18(14)20;1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18;1-13-10-16-11-14-6-2-3-7-15(14)12-19(16)18-9-5-4-8-17(13)18;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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/h2-8,11-12H,9-10H2,1H3;2*2-12H,1H3;2-14H,1H3;2-10,16-17H,1H3;3*2-10H,1H3;2-8H,9H2,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3
InChIKeyMVVZZBPDGANTPY-UHFFFAOYSA-N
XLogP57.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002685.69
LogP ≤ 557.50
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'}

Analyze 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene with MolForge

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Related Compounds

2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
9-methylanthracene;3-methylfluoranthene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;9-(3-methylphenyl)phenanthrene
CID 159147015
anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
CID 159089276
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
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene
CID 160790755
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1,2-bis(2-methylphenyl)benzene;1,2-bis(3-methylphenyl)benzene;1,4-bis(2-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene
CID 157445243
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1-methylanthracene;2-methylanthracene;9-methylanthracene;bis(1-methylnaphthalene);bis(2-methylnaphthalene);3-(4-methylphenyl)pyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 163582771
1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;toluene
CID 159909029

Frequently Asked Questions

What is the IUPAC name of 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene?
The IUPAC name of 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene (CID 159686448) is 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene.
What is the SMILES notation for 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene?
The canonical SMILES for 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene is CC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2C34.Cc1c2ccccc2cc2ccccc12.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2cc3ccccc3cc2c2ccccc12.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2cc3ccccc3cc2c1.Cc1ccc2ccc3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1ccc1cc3ccccc3cc12.Cc1cccc2ccccc12.Cc1ccccc1.
What is the InChIKey of 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene?
The InChIKey is MVVZZBPDGANTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.2C19H14.C19H16.C17H14.3C15H12.C14H12.2C13H12.2C11H10.C7H8/c1-13-6-7-19-15(8-13)10-17-12-20-16(11-21(17)19)9-14-4-2-3-5-18(14)20;1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18;1-13-10-16-11-14-6-2-3-7-15(14)12-19(16)18-9-5-4-8-17(13)18;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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/h2-8,11-12H,9-10H2,1H3;2*2-12H,1H3;2-14H,1H3;2-10,16-17H,1H3;3*2-10H,1H3;2-8H,9H2,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3.
What are the key properties of 2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene?
2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene has a molecular weight of 2685.69 g/mol, XLogP of 57.50, 4 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-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene is sourced from PubChem (CID 159686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).