N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline

C51H59N3 — CID 59105713

IUPACN-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
SMILESCCN(CC)c1ccc(CCc2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(CCc5ccc(N(CC)CC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H59N3/c1-6-52(7-2)47-32-22-43(23-33-47)18-16-41-12-14-42(15-13-41)17-19-45-26-36-50(37-27-45)54(49-30-10-40(5)11-31-49)51-38-28-46(29-39-51)21-20-44-24-34-48(35-25-44)53(8-3)9-4/h10-15,22-39H,6-9,16-21H2,1-5H3
InChIKeyYXIYWXHMHDJQPS-UHFFFAOYSA-N
MW714.05 g/mol
LogP12.51
Rot. Bonds18

About N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline

N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline (PubChem CID 59105713) has the molecular formula C51H59N3 and a molecular weight of 714.05 g/mol. Its IUPAC name is N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
PubChem CID59105713
Molecular FormulaC51H59N3
Molecular Weight714.05 g/mol
Exact Mass713.47
IUPAC NameN-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
SMILESCCN(CC)c1ccc(CCc2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(CCc5ccc(N(CC)CC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H59N3/c1-6-52(7-2)47-32-22-43(23-33-47)18-16-41-12-14-42(15-13-41)17-19-45-26-36-50(37-27-45)54(49-30-10-40(5)11-31-49)51-38-28-46(29-39-51)21-20-44-24-34-48(35-25-44)53(8-3)9-4/h10-15,22-39H,6-9,16-21H2,1-5H3
InChIKeyYXIYWXHMHDJQPS-UHFFFAOYSA-N
XLogP12.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.05
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline?
The IUPAC name of N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline (CID 59105713) is N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline?
The canonical SMILES for N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline is CCN(CC)c1ccc(CCc2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(CCc5ccc(N(CC)CC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline?
The InChIKey is YXIYWXHMHDJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H59N3/c1-6-52(7-2)47-32-22-43(23-33-47)18-16-41-12-14-42(15-13-41)17-19-45-26-36-50(37-27-45)54(49-30-10-40(5)11-31-49)51-38-28-46(29-39-51)21-20-44-24-34-48(35-25-44)53(8-3)9-4/h10-15,22-39H,6-9,16-21H2,1-5H3.
What are the key properties of N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline?
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline has a molecular weight of 714.05 g/mol, XLogP of 12.51, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline is sourced from PubChem (CID 59105713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).