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

C30H42AsN3 — CID 21439568

IUPAC4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc([As](c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C30H42AsN3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3
InChIKeyCPCCHIUOTPLUEO-UHFFFAOYSA-N
MW519.61 g/mol
LogP4.74
Rot. Bonds12

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

4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline (PubChem CID 21439568) has the molecular formula C30H42AsN3 and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline.

Molecular Properties

Compound Name4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
PubChem CID21439568
Molecular FormulaC30H42AsN3
Molecular Weight519.61 g/mol
Exact Mass519.26
IUPAC Name4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccc([As](c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C30H42AsN3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3
InChIKeyCPCCHIUOTPLUEO-UHFFFAOYSA-N
XLogP4.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethyl-4-fluoroaniline
CID 592416
N,N-diethylaniline
CID 7061
4-tert-butyl-N,N-diethylaniline
CID 10632068
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
N,N-diethyl-4-triphenylplumbylaniline
CID 4999017
4-(diethylamino)benzenesulfinic acid
CID 68861817
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327

Frequently Asked Questions

What is the IUPAC name of 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline?
The IUPAC name of 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline (CID 21439568) is 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline.
What is the SMILES notation for 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline?
The canonical SMILES for 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline is CCN(CC)c1ccc([As](c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline?
The InChIKey is CPCCHIUOTPLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42AsN3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24H,7-12H2,1-6H3.
What are the key properties of 4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline?
4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline has a molecular weight of 519.61 g/mol, XLogP of 4.74, 12 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]arsanyl-N,N-diethylaniline is sourced from PubChem (CID 21439568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).