N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine

C31H28N2 — CID 102370349

IUPACN-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/[C@@H](c1ccccc1)c1ccccc1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2/c1-24(2)22-33-31(27-18-10-5-11-19-27)28-20-12-13-21-30(28)32-23-29(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-22,24,31H,1-2H3/b33-22+/t31-/m0/s1
InChIKeyFYRAMHHYQSCACD-DSWPHNCVSA-N
MW428.58 g/mol
LogP7.94
Rot. Bonds7

About N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine

N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine (PubChem CID 102370349) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine
PubChem CID102370349
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC NameN-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine
SMILESCC(C)/C=N/[C@@H](c1ccccc1)c1ccccc1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2/c1-24(2)22-33-31(27-18-10-5-11-19-27)28-20-12-13-21-30(28)32-23-29(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-22,24,31H,1-2H3/b33-22+/t31-/m0/s1
InChIKeyFYRAMHHYQSCACD-DSWPHNCVSA-N
XLogP7.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.94
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

N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine
CID 71531727
2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]ethenimine
CID 10832689
N-benzhydrylidene-2-(2,2-diphenylethenylideneamino)benzamide
CID 11306080
S-(4-methylphenyl) 2-(2,2-diphenylethenylideneamino)benzenecarbothioate
CID 101374813
lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
CID 23670629
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N-ethynyl-2,2-diphenylethenimine
CID 140945321
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2-(2-methylpropylideneamino)benzenethiol
CID 142295893
[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
CID 5378828
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine?
The IUPAC name of N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine (CID 102370349) is N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine is CC(C)/C=N/[C@@H](c1ccccc1)c1ccccc1N=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine?
The InChIKey is FYRAMHHYQSCACD-DSWPHNCVSA-N. The full InChI is InChI=1S/C31H28N2/c1-24(2)22-33-31(27-18-10-5-11-19-27)28-20-12-13-21-30(28)32-23-29(25-14-6-3-7-15-25)26-16-8-4-9-17-26/h3-22,24,31H,1-2H3/b33-22+/t31-/m0/s1.
What are the key properties of N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine?
N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine has a molecular weight of 428.58 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine is sourced from PubChem (CID 102370349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).