1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene

C60H48 — CID 158709590

IUPAC1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1.Cc1ccc2ccc3ccccc3c2c1.Cc1cccc2c1ccc1ccccc12.Cc1cccc2ccc3ccccc3c12
InChIInChI=1S/4C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13;1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h4*2-10H,1H3
InChIKeyIIOANXGKKOJPBH-UHFFFAOYSA-N
MW769.04 g/mol
LogP17.21
Rot. Bonds

About 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene

1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene (PubChem CID 158709590) has the molecular formula C60H48 and a molecular weight of 769.04 g/mol. Its IUPAC name is 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene.

Molecular Properties

Compound Name1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
PubChem CID158709590
Molecular FormulaC60H48
Molecular Weight769.04 g/mol
Exact Mass768.38
IUPAC Name1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1.Cc1ccc2ccc3ccccc3c2c1.Cc1cccc2c1ccc1ccccc12.Cc1cccc2ccc3ccccc3c12
InChIInChI=1S/4C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13;1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h4*2-10H,1H3
InChIKeyIIOANXGKKOJPBH-UHFFFAOYSA-N
XLogP17.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.04
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
2,9-dimethylpicene
CID 15509
1,6-dimethylphenanthrene;ethane
CID 144939314
ethane;1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;2-methylpyridine;4-methylpyridine
CID 158446087
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932
methane;1-methylphenanthrene
CID 175001905
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
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
1,5-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;1,10-dimethylperylene;2,10-dimethylperylene;3,4-dimethylperylene;3,9-dimethylperylene;3,10-dimethylperylene;1,7-dimethylphenanthrene;2,6-dimethylphenanthrene;2,7-dimethylphenanthrene;2,9-dimethylphenanthrene;2,10-dimethylphenanthrene;2,7,9-trimethylphenanthrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159614590
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559

Frequently Asked Questions

What is the IUPAC name of 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene?
The IUPAC name of 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene (CID 158709590) is 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene.
What is the SMILES notation for 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene?
The canonical SMILES for 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene is Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2ccc3ccccc3c2c1.Cc1cccc2c1ccc1ccccc12.Cc1cccc2ccc3ccccc3c12.
What is the InChIKey of 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene?
The InChIKey is IIOANXGKKOJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H12/c1-11-5-4-7-13-10-9-12-6-2-3-8-14(12)15(11)13;1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h4*2-10H,1H3.
What are the key properties of 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene?
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene has a molecular weight of 769.04 g/mol, XLogP of 17.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene is sourced from PubChem (CID 158709590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).