N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine

C26H20N2S — CID 5251820

IUPACN-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine
SMILESc1ccc(C(=NSN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20N2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQTWWZVGICPZWII-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.62
Rot. Bonds6

About N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine

N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine (PubChem CID 5251820) has the molecular formula C26H20N2S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine
PubChem CID5251820
Molecular FormulaC26H20N2S
Molecular Weight392.53 g/mol
Exact Mass392.13
IUPAC NameN-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine
SMILESc1ccc(C(=NSN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20N2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyQTWWZVGICPZWII-UHFFFAOYSA-N
XLogP6.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone azine
CID 101221
2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
CID 407360
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
1,1'-(Diazomethylene)bis(benzene)
CID 61230
Acetophenone azine
CID 5484329
(3Z,5E)-3,6-diphenyl-4,5-diazaocta-3,5-diene
CID 5894538
3,5,7-Triphenyl-4H-1,2-diazepine
CID 613116
Benzaldehyde, azine with benzophenone
CID 9604051
(1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene
CID 13164082
2,2'-(Cyclohexa-2,5-diene-1,4-diylidene)bis(4,5-diphenyl-2H-imidazole)
CID 341010
3,7-diphenyl-5,6-dihydro-4H-1,2-diazepine
CID 288234

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine?
The IUPAC name of N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine (CID 5251820) is N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine.
What is the SMILES notation for N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine?
The canonical SMILES for N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine is c1ccc(C(=NSN=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine?
The InChIKey is QTWWZVGICPZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine?
N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine has a molecular weight of 392.53 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)sulfanyl-1,1-diphenylmethanimine is sourced from PubChem (CID 5251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).