3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen

C26H39N — CID 142926551

IUPAC3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
SMILESCC.CC.CC(C1=CC=CCC=C1)(c1ccccc1)c1ccccc1.CN.[H][H]
InChIInChI=1S/C21H20.2C2H6.CH5N.H2/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18;3*1-2;/h2,4-17H,3H2,1H3;2*1-2H3;2H2,1H3;1H
InChIKeyCNOBDOXWBSIKIZ-UHFFFAOYSA-N
MW365.61 g/mol
LogP7.31
Rot. Bonds3

About 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen

3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen (PubChem CID 142926551) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen.

Molecular Properties

Compound Name3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
PubChem CID142926551
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC Name3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen
SMILESCC.CC.CC(C1=CC=CCC=C1)(c1ccccc1)c1ccccc1.CN.[H][H]
InChIInChI=1S/C21H20.2C2H6.CH5N.H2/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18;3*1-2;/h2,4-17H,3H2,1H3;2*1-2H3;2H2,1H3;1H
InChIKeyCNOBDOXWBSIKIZ-UHFFFAOYSA-N
XLogP7.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene
CID 144603425
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
1-cyclohepta-1,3,6-trien-1-yl-1-cyclohex-3-en-1-ylethanamine
CID 163749206
cyclohepta-1,3,6-trien-1-yl-methyl-diphenylsilane
CID 144923038
cyclohepta-1,3,6-trien-1-yl-dimethyl-phenylazanium
CID 90938590
cyclopenta-1,3-diene;ethane;toluene
CID 90880714
3-[methyl(phenyl)phosphoryl]cyclohepta-1,3,5-triene
CID 134407070
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
2-cyclohepta-1,4,6-trien-1-yl-2-phenylpropanoic acid
CID 142840576

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen?
The IUPAC name of 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen (CID 142926551) is 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen.
What is the SMILES notation for 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen?
The canonical SMILES for 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen is CC.CC.CC(C1=CC=CCC=C1)(c1ccccc1)c1ccccc1.CN.[H][H].
What is the InChIKey of 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen?
The InChIKey is CNOBDOXWBSIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.2C2H6.CH5N.H2/c1-21(19-14-8-4-9-15-19,20-16-10-5-11-17-20)18-12-6-2-3-7-13-18;3*1-2;/h2,4-17H,3H2,1H3;2*1-2H3;2H2,1H3;1H.
What are the key properties of 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen?
3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen has a molecular weight of 365.61 g/mol, XLogP of 7.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diphenylethyl)cyclohepta-1,3,5-triene;ethane;methanamine;molecular hydrogen is sourced from PubChem (CID 142926551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).