ethane;9-methylphenanthrene;toluene;1,4-xylene

C32H36 — CID 143426197

IUPACethane;9-methylphenanthrene;toluene;1,4-xylene
SMILESCC.Cc1cc2ccccc2c2ccccc12.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C15H12.C8H10.C7H8.C2H6/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h2-10H,1H3;3-6H,1-2H3;2-6H,1H3;1-2H3
InChIKeyRADIZSKIHDBBNT-UHFFFAOYSA-N
MW420.64 g/mol
LogP9.63
Rot. Bonds

About ethane;9-methylphenanthrene;toluene;1,4-xylene

ethane;9-methylphenanthrene;toluene;1,4-xylene (PubChem CID 143426197) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is ethane;9-methylphenanthrene;toluene;1,4-xylene.

Molecular Properties

Compound Nameethane;9-methylphenanthrene;toluene;1,4-xylene
PubChem CID143426197
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Nameethane;9-methylphenanthrene;toluene;1,4-xylene
SMILESCC.Cc1cc2ccccc2c2ccccc12.Cc1ccc(C)cc1.Cc1ccccc1
InChIInChI=1S/C15H12.C8H10.C7H8.C2H6/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h2-10H,1H3;3-6H,1-2H3;2-6H,1H3;1-2H3
InChIKeyRADIZSKIHDBBNT-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.63
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;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
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CID 158097915
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
phenanthrene;toluene
CID 158347700
benzo[b]triphenylene;ethane;1-methylcoronene;naphthalene;phenanthrene;toluene;triphenylene
CID 163844933
9-anthracen-9-ylanthracene;toluene
CID 86148014
1,3-dimethylnaphthalene;ethane
CID 145447624
ethane;1-methylnaphthalene;toluene
CID 91013579
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 163568531

Frequently Asked Questions

What is the IUPAC name of ethane;9-methylphenanthrene;toluene;1,4-xylene?
The IUPAC name of ethane;9-methylphenanthrene;toluene;1,4-xylene (CID 143426197) is ethane;9-methylphenanthrene;toluene;1,4-xylene.
What is the SMILES notation for ethane;9-methylphenanthrene;toluene;1,4-xylene?
The canonical SMILES for ethane;9-methylphenanthrene;toluene;1,4-xylene is CC.Cc1cc2ccccc2c2ccccc12.Cc1ccc(C)cc1.Cc1ccccc1.
What is the InChIKey of ethane;9-methylphenanthrene;toluene;1,4-xylene?
The InChIKey is RADIZSKIHDBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C8H10.C7H8.C2H6/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h2-10H,1H3;3-6H,1-2H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;9-methylphenanthrene;toluene;1,4-xylene?
ethane;9-methylphenanthrene;toluene;1,4-xylene has a molecular weight of 420.64 g/mol, XLogP of 9.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylphenanthrene;toluene;1,4-xylene is sourced from PubChem (CID 143426197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).