1,4,5,8-tetramethylphenanthrene

C18H18 — CID 14619660

IUPAC1,4,5,8-tetramethylphenanthrene
SMILESCc1ccc(C)c2c1ccc1c(C)ccc(C)c12
InChIInChI=1S/C18H18/c1-11-5-7-13(3)17-15(11)9-10-16-12(2)6-8-14(4)18(16)17/h5-10H,1-4H3
InChIKeyFPPWNWZCPDBKJL-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.23
Rot. Bonds

About 1,4,5,8-tetramethylphenanthrene

1,4,5,8-tetramethylphenanthrene (PubChem CID 14619660) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,4,5,8-tetramethylphenanthrene.

Molecular Properties

Compound Name1,4,5,8-tetramethylphenanthrene
PubChem CID14619660
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1,4,5,8-tetramethylphenanthrene
SMILESCc1ccc(C)c2c1ccc1c(C)ccc(C)c12
InChIInChI=1S/C18H18/c1-11-5-7-13(3)17-15(11)9-10-16-12(2)6-8-14(4)18(16)17/h5-10H,1-4H3
InChIKeyFPPWNWZCPDBKJL-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 132548286
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CID 155586253
CID 155586253
1,4-dimethyl-5-(trideuteriomethyl)naphthalene
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6-methylpyren-1-ol
CID 59779494
ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001
(5,8-dimethylisoquinolin-1-yl)methanamine
CID 82405735
9,20-dichloro-6,23-dimethylhexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 101092978
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CID 82276385
1,5,12-trimethyltriphenylene
CID 102264978

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetramethylphenanthrene?
The IUPAC name of 1,4,5,8-tetramethylphenanthrene (CID 14619660) is 1,4,5,8-tetramethylphenanthrene.
What is the SMILES notation for 1,4,5,8-tetramethylphenanthrene?
The canonical SMILES for 1,4,5,8-tetramethylphenanthrene is Cc1ccc(C)c2c1ccc1c(C)ccc(C)c12.
What is the InChIKey of 1,4,5,8-tetramethylphenanthrene?
The InChIKey is FPPWNWZCPDBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-11-5-7-13(3)17-15(11)9-10-16-12(2)6-8-14(4)18(16)17/h5-10H,1-4H3.
What are the key properties of 1,4,5,8-tetramethylphenanthrene?
1,4,5,8-tetramethylphenanthrene has a molecular weight of 234.34 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetramethylphenanthrene is sourced from PubChem (CID 14619660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).