4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline

C37H47N3 — CID 59366408

IUPAC4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccccc2)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C37H47N3/c1-7-38(8-2)34-24-18-31(19-25-34)37(30-16-14-13-15-17-30,32-20-26-35(27-21-32)39(9-3)10-4)33-22-28-36(29-23-33)40(11-5)12-6/h13-29H,7-12H2,1-6H3
InChIKeyGNGOLBKKAAJSLV-UHFFFAOYSA-N
MW533.80 g/mol
LogP8.61
Rot. Bonds13

About 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline

4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline (PubChem CID 59366408) has the molecular formula C37H47N3 and a molecular weight of 533.80 g/mol. Its IUPAC name is 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
PubChem CID59366408
Molecular FormulaC37H47N3
Molecular Weight533.80 g/mol
Exact Mass533.38
IUPAC Name4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccccc2)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C37H47N3/c1-7-38(8-2)34-24-18-31(19-25-34)37(30-16-14-13-15-17-30,32-20-26-35(27-21-32)39(9-3)10-4)33-22-28-36(29-23-33)40(11-5)12-6/h13-29H,7-12H2,1-6H3
InChIKeyGNGOLBKKAAJSLV-UHFFFAOYSA-N
XLogP8.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.80
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
4-tert-butyl-N,N-diethylaniline
CID 10632068
N,N-diethylaniline
CID 7061
N-ethyl-4-[tris[4-(diethylamino)phenyl]methyl]aniline
CID 59357333
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
N,N-diethyl-4-triphenylplumbylaniline
CID 4999017
CID 21439516
CID 21439516

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline?
The IUPAC name of 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline (CID 59366408) is 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(c2ccccc2)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline?
The InChIKey is GNGOLBKKAAJSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N3/c1-7-38(8-2)34-24-18-31(19-25-34)37(30-16-14-13-15-17-30,32-20-26-35(27-21-32)39(9-3)10-4)33-22-28-36(29-23-33)40(11-5)12-6/h13-29H,7-12H2,1-6H3.
What are the key properties of 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline?
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline has a molecular weight of 533.80 g/mol, XLogP of 8.61, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline is sourced from PubChem (CID 59366408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).