ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene

C34H44 — CID 143037410

IUPACethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
SMILESC=C.CC.CCC.Cc1ccc(Cc2ccc(-c3ccccc3)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C20H18.C7H8.C3H8.C2H6.C2H4/c1-16-7-9-17(10-8-16)15-18-11-13-20(14-12-18)19-5-3-2-4-6-19;1-7-5-3-2-4-6-7;1-3-2;2*1-2/h2-14H,15H2,1H3;2-6H,1H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyUFNJIJIYTJAVFV-UHFFFAOYSA-N
MW452.73 g/mol
LogP10.49
Rot. Bonds3

About ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene

ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene (PubChem CID 143037410) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene.

Molecular Properties

Compound Nameethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
PubChem CID143037410
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Nameethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene
SMILESC=C.CC.CCC.Cc1ccc(Cc2ccc(-c3ccccc3)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C20H18.C7H8.C3H8.C2H6.C2H4/c1-16-7-9-17(10-8-16)15-18-11-13-20(14-12-18)19-5-3-2-4-6-19;1-7-5-3-2-4-6-7;1-3-2;2*1-2/h2-14H,15H2,1H3;2-6H,1H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyUFNJIJIYTJAVFV-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
1-benzyl-4-methylbenzene;toluene
CID 144690555
benzylbenzene;propane;toluene
CID 90753545
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;propane;toluene;1,4-xylene
CID 167564675
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
benzene;ethane;propane;toluene
CID 161363335
ethane;propane;toluene
CID 54475116
ethane;propane;toluene
CID 91304114

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene?
The IUPAC name of ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene (CID 143037410) is ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene.
What is the SMILES notation for ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene?
The canonical SMILES for ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene is C=C.CC.CCC.Cc1ccc(Cc2ccc(-c3ccccc3)cc2)cc1.Cc1ccccc1.
What is the InChIKey of ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene?
The InChIKey is UFNJIJIYTJAVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C7H8.C3H8.C2H6.C2H4/c1-16-7-9-17(10-8-16)15-18-11-13-20(14-12-18)19-5-3-2-4-6-19;1-7-5-3-2-4-6-7;1-3-2;2*1-2/h2-14H,15H2,1H3;2-6H,1H3;3H2,1-2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene?
ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene has a molecular weight of 452.73 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-methyl-4-[(4-phenylphenyl)methyl]benzene;propane;toluene is sourced from PubChem (CID 143037410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).