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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Related Compounds

CID 208703
CID 208703
CID 1600437
CID 1600437
CID 583301
CID 583301
CID 3057047
CID 3057047
CID 11011559
CID 11011559
CID 319509
CID 319509
CID 597059
CID 597059
CID 305889
CID 305889
CID 122212464
CID 122212464
CID 139240467
CID 139240467
CID 13308806
CID 13308806
CID 349471
CID 349471

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).