N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine

C36H28N2 — CID 16742863

IUPACN-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine
SMILESCc1cccc(CN=C=C(c2ccccc2)c2ccccc2)c1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N2/c1-28-15-14-24-33(25-37-26-34(29-16-6-2-7-17-29)30-18-8-3-9-19-30)36(28)38-27-35(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-24H,25H2,1H3
InChIKeySROGZGQOYPBRMA-UHFFFAOYSA-N
MW488.63 g/mol
LogP8.73
Rot. Bonds7

About N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine

N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine (PubChem CID 16742863) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine
PubChem CID16742863
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC NameN-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine
SMILESCc1cccc(CN=C=C(c2ccccc2)c2ccccc2)c1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N2/c1-28-15-14-24-33(25-37-26-34(29-16-6-2-7-17-29)30-18-8-3-9-19-30)36(28)38-27-35(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-24H,25H2,1H3
InChIKeySROGZGQOYPBRMA-UHFFFAOYSA-N
XLogP8.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine?
The IUPAC name of N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine (CID 16742863) is N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine.
What is the SMILES notation for N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine?
The canonical SMILES for N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine is Cc1cccc(CN=C=C(c2ccccc2)c2ccccc2)c1N=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine?
The InChIKey is SROGZGQOYPBRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-28-15-14-24-33(25-37-26-34(29-16-6-2-7-17-29)30-18-8-3-9-19-30)36(28)38-27-35(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-24H,25H2,1H3.
What are the key properties of N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine?
N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine has a molecular weight of 488.63 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine is sourced from PubChem (CID 16742863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).