ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene

C42H62 — CID 145108113

IUPACethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
SMILESC.CC.CC(C)C.CC(c1ccccc1)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1.CCCCC
InChIInChI=1S/C30H30.C5H12.C4H10.C2H6.CH4/c1-22(25-13-7-4-8-14-25)28-19-29(23(2)26-15-9-5-10-16-26)21-30(20-28)24(3)27-17-11-6-12-18-27;1-3-5-4-2;1-4(2)3;1-2;/h4-24H,1-3H3;3-5H2,1-2H3;4H,1-3H3;1-2H3;1H4
InChIKeyNFDRWKYGXYHOPA-UHFFFAOYSA-N
MW566.96 g/mol
LogP13.66
Rot. Bonds8

About ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene

ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene (PubChem CID 145108113) has the molecular formula C42H62 and a molecular weight of 566.96 g/mol. Its IUPAC name is ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene.

Molecular Properties

Compound Nameethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
PubChem CID145108113
Molecular FormulaC42H62
Molecular Weight566.96 g/mol
Exact Mass566.49
IUPAC Nameethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
SMILESC.CC.CC(C)C.CC(c1ccccc1)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1.CCCCC
InChIInChI=1S/C30H30.C5H12.C4H10.C2H6.CH4/c1-22(25-13-7-4-8-14-25)28-19-29(23(2)26-15-9-5-10-16-26)21-30(20-28)24(3)27-17-11-6-12-18-27;1-3-5-4-2;1-4(2)3;1-2;/h4-24H,1-3H3;3-5H2,1-2H3;4H,1-3H3;1-2H3;1H4
InChIKeyNFDRWKYGXYHOPA-UHFFFAOYSA-N
XLogP13.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.96
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;1-phenylethylbenzene
CID 143105414
ethane;1-phenylethylbenzene
CID 164998811
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
ethanamine;1-phenylethylbenzene
CID 19985218
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
1-phenylethylbenzene;stibane
CID 174965918
cumene;ethane;1-phenylethylbenzene
CID 158118082
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
ethane;1-ethylsulfanylethylbenzene
CID 91185856

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene?
The IUPAC name of ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene (CID 145108113) is ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene.
What is the SMILES notation for ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene?
The canonical SMILES for ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene is C.CC.CC(C)C.CC(c1ccccc1)c1cc(C(C)c2ccccc2)cc(C(C)c2ccccc2)c1.CCCCC.
What is the InChIKey of ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene?
The InChIKey is NFDRWKYGXYHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30.C5H12.C4H10.C2H6.CH4/c1-22(25-13-7-4-8-14-25)28-19-29(23(2)26-15-9-5-10-16-26)21-30(20-28)24(3)27-17-11-6-12-18-27;1-3-5-4-2;1-4(2)3;1-2;/h4-24H,1-3H3;3-5H2,1-2H3;4H,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene?
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene has a molecular weight of 566.96 g/mol, XLogP of 13.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene is sourced from PubChem (CID 145108113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).