ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene

C32H48 — CID 144603425

IUPACethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene
SMILESCC.CC.CC.Cc1ccc(C(C)(C2=CC=CC(C)(C(C)C)C=C2)c2ccccc2)cc1
InChIInChI=1S/C26H30.3C2H6/c1-20(2)25(4)18-9-12-23(17-19-25)26(5,22-10-7-6-8-11-22)24-15-13-21(3)14-16-24;3*1-2/h6-20H,1-5H3;3*1-2H3
InChIKeyGGDGUFGSMCMNLB-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.09
Rot. Bonds4

About ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene

ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene (PubChem CID 144603425) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene
PubChem CID144603425
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Nameethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene
SMILESCC.CC.CC.Cc1ccc(C(C)(C2=CC=CC(C)(C(C)C)C=C2)c2ccccc2)cc1
InChIInChI=1S/C26H30.3C2H6/c1-20(2)25(4)18-9-12-23(17-19-25)26(5,22-10-7-6-8-11-22)24-15-13-21(3)14-16-24;3*1-2/h6-20H,1-5H3;3*1-2H3
InChIKeyGGDGUFGSMCMNLB-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
CID 142926551
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
tris(tert-butylbenzene);ethane;toluene
CID 158234120
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1-[1,1-bis(4-deuteriophenyl)ethyl]-4-methylbenzene
CID 158122819
(2R,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-ol
CID 11380685
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
CID 159374079

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene (CID 144603425) is ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene is CC.CC.CC.Cc1ccc(C(C)(C2=CC=CC(C)(C(C)C)C=C2)c2ccccc2)cc1.
What is the InChIKey of ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene?
The InChIKey is GGDGUFGSMCMNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.3C2H6/c1-20(2)25(4)18-9-12-23(17-19-25)26(5,22-10-7-6-8-11-22)24-15-13-21(3)14-16-24;3*1-2/h6-20H,1-5H3;3*1-2H3.
What are the key properties of ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene?
ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene has a molecular weight of 432.74 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 144603425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).