N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline

C29H26N2O2 — CID 3086299

IUPACN-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
SMILESCOc1ccc(C(=CC=NN(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-32-27-17-13-23(14-18-27)29(24-15-19-28(33-2)20-16-24)21-22-30-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,1-2H3
InChIKeyGLNGDNFLHPVNBF-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.96
Rot. Bonds8

About N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline

N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline (PubChem CID 3086299) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
PubChem CID3086299
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
SMILESCOc1ccc(C(=CC=NN(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-32-27-17-13-23(14-18-27)29(24-15-19-28(33-2)20-16-24)21-22-30-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,1-2H3
InChIKeyGLNGDNFLHPVNBF-UHFFFAOYSA-N
XLogP6.96
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline?
The IUPAC name of N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline (CID 3086299) is N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline?
The canonical SMILES for N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline is COc1ccc(C(=CC=NN(c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline?
The InChIKey is GLNGDNFLHPVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-32-27-17-13-23(14-18-27)29(24-15-19-28(33-2)20-16-24)21-22-30-31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-22H,1-2H3.
What are the key properties of N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline?
N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline has a molecular weight of 434.54 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline is sourced from PubChem (CID 3086299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).