bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride

C33H37ClN2O — CID 141000987

IUPACbis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride
SMILESCCN(CC)c1ccccc1-c1ccccc1C(=O)c1ccccc1-c1ccccc1N(CC)CC.Cl
InChIInChI=1S/C33H36N2O.ClH/c1-5-34(6-2)31-23-15-13-19-27(31)25-17-9-11-21-29(25)33(36)30-22-12-10-18-26(30)28-20-14-16-24-32(28)35(7-3)8-4;/h9-24H,5-8H2,1-4H3;1H
InChIKeyCARPWBVRMLSUMI-UHFFFAOYSA-N
MW513.13 g/mol
LogP8.37
Rot. Bonds10

About bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride

bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride (PubChem CID 141000987) has the molecular formula C33H37ClN2O and a molecular weight of 513.13 g/mol. Its IUPAC name is bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namebis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride
PubChem CID141000987
Molecular FormulaC33H37ClN2O
Molecular Weight513.13 g/mol
Exact Mass512.26
IUPAC Namebis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride
SMILESCCN(CC)c1ccccc1-c1ccccc1C(=O)c1ccccc1-c1ccccc1N(CC)CC.Cl
InChIInChI=1S/C33H36N2O.ClH/c1-5-34(6-2)31-23-15-13-19-27(31)25-17-9-11-21-29(25)33(36)30-22-12-10-18-26(30)28-20-14-16-24-32(28)35(7-3)8-4;/h9-24H,5-8H2,1-4H3;1H
InChIKeyCARPWBVRMLSUMI-UHFFFAOYSA-N
XLogP8.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.13
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride?
The IUPAC name of bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride (CID 141000987) is bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride.
What is the SMILES notation for bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride?
The canonical SMILES for bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride is CCN(CC)c1ccccc1-c1ccccc1C(=O)c1ccccc1-c1ccccc1N(CC)CC.Cl.
What is the InChIKey of bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride?
The InChIKey is CARPWBVRMLSUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O.ClH/c1-5-34(6-2)31-23-15-13-19-27(31)25-17-9-11-21-29(25)33(36)30-22-12-10-18-26(30)28-20-14-16-24-32(28)35(7-3)8-4;/h9-24H,5-8H2,1-4H3;1H.
What are the key properties of bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride?
bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride has a molecular weight of 513.13 g/mol, XLogP of 8.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 141000987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).