N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline

C34H36N2 — CID 23526005

IUPACN-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
SMILESCCN(C)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C34H36N2/c1-5-35(3)31-21-17-29(18-22-31)34(30-19-23-32(24-20-30)36(4)6-2)26-25-33(27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-26H,5-6H2,1-4H3
InChIKeyXSTGMRUPPFMLGY-UHFFFAOYSA-N
MW472.68 g/mol
LogP8.16
Rot. Bonds9

About N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline

N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline (PubChem CID 23526005) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline.

Molecular Properties

Compound NameN-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
PubChem CID23526005
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC NameN-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
SMILESCCN(C)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C34H36N2/c1-5-35(3)31-21-17-29(18-22-31)34(30-19-23-32(24-20-30)36(4)6-2)26-25-33(27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-26H,5-6H2,1-4H3
InChIKeyXSTGMRUPPFMLGY-UHFFFAOYSA-N
XLogP8.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline?
The IUPAC name of N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline (CID 23526005) is N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline.
What is the SMILES notation for N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline?
The canonical SMILES for N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline is CCN(C)c1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N(C)CC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline?
The InChIKey is XSTGMRUPPFMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2/c1-5-35(3)31-21-17-29(18-22-31)34(30-19-23-32(24-20-30)36(4)6-2)26-25-33(27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-26H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline?
N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline has a molecular weight of 472.68 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline is sourced from PubChem (CID 23526005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).