ethane;methane;phenanthrene

C33H36 — CID 144939263

IUPACethane;methane;phenanthrene
SMILESC.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C14H10.2C2H6.CH4/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2;/h2*1-10H;2*1-2H3;1H4
InChIKeyIRZIGMRQYMFYKC-UHFFFAOYSA-N
MW432.65 g/mol
LogP10.67
Rot. Bonds

About ethane;methane;phenanthrene

ethane;methane;phenanthrene (PubChem CID 144939263) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is ethane;methane;phenanthrene.

Molecular Properties

Compound Nameethane;methane;phenanthrene
PubChem CID144939263
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Nameethane;methane;phenanthrene
SMILESC.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C14H10.2C2H6.CH4/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2;/h2*1-10H;2*1-2H3;1H4
InChIKeyIRZIGMRQYMFYKC-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 510.67
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

ethane;methane;phenanthrene
CID 144938954
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phenanthrene;sulfane
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butane;chrysene;ethane
CID 143984277
benzene;9,10-dimethylphenanthrene;ethane;methane;naphthalene;phenanthrene
CID 158089550
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
phenanthrene;phosphinous acid
CID 174826862
chrysene;iron
CID 157379031
phenanthrene;toluene
CID 158347700
naphtho[1,2-b]phenanthrene
CID 5889

Frequently Asked Questions

What is the IUPAC name of ethane;methane;phenanthrene?
The IUPAC name of ethane;methane;phenanthrene (CID 144939263) is ethane;methane;phenanthrene.
What is the SMILES notation for ethane;methane;phenanthrene?
The canonical SMILES for ethane;methane;phenanthrene is C.CC.CC.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of ethane;methane;phenanthrene?
The InChIKey is IRZIGMRQYMFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10.2C2H6.CH4/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;2*1-2;/h2*1-10H;2*1-2H3;1H4.
What are the key properties of ethane;methane;phenanthrene?
ethane;methane;phenanthrene has a molecular weight of 432.65 g/mol, XLogP of 10.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;phenanthrene is sourced from PubChem (CID 144939263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).