4,5-dimethylphenanthrene;ethane

C24H38 — CID 143983787

IUPAC4,5-dimethylphenanthrene;ethane
SMILESCC.CC.CC.CC.Cc1cccc2ccc3cccc(C)c3c12
InChIInChI=1S/C16H14.4C2H6/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13;4*1-2/h3-10H,1-2H3;4*1-2H3
InChIKeyYZQYIQKJHCCFAT-UHFFFAOYSA-N
MW326.57 g/mol
LogP8.71
Rot. Bonds

About 4,5-dimethylphenanthrene;ethane

4,5-dimethylphenanthrene;ethane (PubChem CID 143983787) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 4,5-dimethylphenanthrene;ethane.

Molecular Properties

Compound Name4,5-dimethylphenanthrene;ethane
PubChem CID143983787
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name4,5-dimethylphenanthrene;ethane
SMILESCC.CC.CC.CC.Cc1cccc2ccc3cccc(C)c3c12
InChIInChI=1S/C16H14.4C2H6/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13;4*1-2/h3-10H,1-2H3;4*1-2H3
InChIKeyYZQYIQKJHCCFAT-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 58.71
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

4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
1,8-dimethylnaphthalene;ethane
CID 91447117
ethane;4-ethenyl-5-methylphenanthrene
CID 143984038
1-bromo-8-methylnaphthalene
CID 4250949
1,2-difluoro-8-methylnaphthalene
CID 138605111
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2-(8-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 172750992
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
4,20,25,41-tetramethyl-12,33-diphosphatridecacyclo[21.19.1.12,12.13,7.113,17.124,28.134,38.033,43.011,48.021,46.022,47.032,45.042,44]octatetraconta-1,3,5,7(48),8,10,13,15,17(46),18,20,22(47),23(43),24,26,28(45),29,31,34,36,38(44),39,41-tricosaene
CID 134951025
1-ethynyl-8-methylnaphthalene
CID 71370768

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylphenanthrene;ethane?
The IUPAC name of 4,5-dimethylphenanthrene;ethane (CID 143983787) is 4,5-dimethylphenanthrene;ethane.
What is the SMILES notation for 4,5-dimethylphenanthrene;ethane?
The canonical SMILES for 4,5-dimethylphenanthrene;ethane is CC.CC.CC.CC.Cc1cccc2ccc3cccc(C)c3c12.
What is the InChIKey of 4,5-dimethylphenanthrene;ethane?
The InChIKey is YZQYIQKJHCCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.4C2H6/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13;4*1-2/h3-10H,1-2H3;4*1-2H3.
What are the key properties of 4,5-dimethylphenanthrene;ethane?
4,5-dimethylphenanthrene;ethane has a molecular weight of 326.57 g/mol, XLogP of 8.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylphenanthrene;ethane is sourced from PubChem (CID 143983787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).