N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline

C29H26N2 — CID 54056068

IUPACN-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
SMILESCc1ccc(N(Cc2ccccc2)N=CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2/c1-24-17-19-28(20-18-24)31(23-25-11-5-2-6-12-25)30-22-21-29(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22H,23H2,1H3
InChIKeyLWIMTHHXILUJSR-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.12
Rot. Bonds7

About N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline

N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline (PubChem CID 54056068) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
PubChem CID54056068
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC NameN-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
SMILESCc1ccc(N(Cc2ccccc2)N=CC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2/c1-24-17-19-28(20-18-24)31(23-25-11-5-2-6-12-25)30-22-21-29(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22H,23H2,1H3
InChIKeyLWIMTHHXILUJSR-UHFFFAOYSA-N
XLogP7.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline?
The IUPAC name of N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline (CID 54056068) is N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline.
What is the SMILES notation for N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline?
The canonical SMILES for N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline is Cc1ccc(N(Cc2ccccc2)N=CC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline?
The InChIKey is LWIMTHHXILUJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2/c1-24-17-19-28(20-18-24)31(23-25-11-5-2-6-12-25)30-22-21-29(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22H,23H2,1H3.
What are the key properties of N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline?
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline has a molecular weight of 402.54 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline is sourced from PubChem (CID 54056068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).