2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one

C43H56N2O — CID 174656591

IUPAC2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
SMILESCCC(C(=O)C(CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H56N2O/c1-9-39(42(31-33(3)44(5)6,35-23-15-11-16-24-35)36-25-17-12-18-26-36)41(46)40(10-2)43(32-34(4)45(7)8,37-27-19-13-20-28-37)38-29-21-14-22-30-38/h11-30,33-34,39-40H,9-10,31-32H2,1-8H3
InChIKeyLNILTNMLPIJYEP-UHFFFAOYSA-N
MW616.93 g/mol
LogP9.26
Rot. Bonds16

About 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one

2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one (PubChem CID 174656591) has the molecular formula C43H56N2O and a molecular weight of 616.93 g/mol. Its IUPAC name is 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one.

Molecular Properties

Compound Name2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
PubChem CID174656591
Molecular FormulaC43H56N2O
Molecular Weight616.93 g/mol
Exact Mass616.44
IUPAC Name2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
SMILESCCC(C(=O)C(CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H56N2O/c1-9-39(42(31-33(3)44(5)6,35-23-15-11-16-24-35)36-25-17-12-18-26-36)41(46)40(10-2)43(32-34(4)45(7)8,37-27-19-13-20-28-37)38-29-21-14-22-30-38/h11-30,33-34,39-40H,9-10,31-32H2,1-8H3
InChIKeyLNILTNMLPIJYEP-UHFFFAOYSA-N
XLogP9.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.93
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoic acid
CID 67318933
6-(dimethylamino)-3-ethyl-4,4-diphenylheptanoate
CID 23616922
(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
CID 21127624
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-2-one
CID 54516525
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
CID 154665815
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409

Frequently Asked Questions

What is the IUPAC name of 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one?
The IUPAC name of 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one (CID 174656591) is 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one.
What is the SMILES notation for 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one?
The canonical SMILES for 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one is CCC(C(=O)C(CC)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one?
The InChIKey is LNILTNMLPIJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56N2O/c1-9-39(42(31-33(3)44(5)6,35-23-15-11-16-24-35)36-25-17-12-18-26-36)41(46)40(10-2)43(32-34(4)45(7)8,37-27-19-13-20-28-37)38-29-21-14-22-30-38/h11-30,33-34,39-40H,9-10,31-32H2,1-8H3.
What are the key properties of 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one?
2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one has a molecular weight of 616.93 g/mol, XLogP of 9.26, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one is sourced from PubChem (CID 174656591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).