N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide

C29H31N5Si — CID 139156190

IUPACN'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide
SMILESCN(C)[Si](C)(N=C(Nc1ccccc1)c1ccccc1)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N5Si/c1-34(2)35(3,32-28(24-16-8-4-9-17-24)30-26-20-12-6-13-21-26)33-29(25-18-10-5-11-19-25)31-27-22-14-7-15-23-27/h4-23H,1-3H3,(H,30,32)(H,31,33)
InChIKeyCRSGTIVKHASMAS-UHFFFAOYSA-N
MW477.69 g/mol
LogP6.23
Rot. Bonds7

About N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide

N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide (PubChem CID 139156190) has the molecular formula C29H31N5Si and a molecular weight of 477.69 g/mol. Its IUPAC name is N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide
PubChem CID139156190
Molecular FormulaC29H31N5Si
Molecular Weight477.69 g/mol
Exact Mass477.23
IUPAC NameN'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide
SMILESCN(C)[Si](C)(N=C(Nc1ccccc1)c1ccccc1)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N5Si/c1-34(2)35(3,32-28(24-16-8-4-9-17-24)30-26-20-12-6-13-21-26)33-29(25-18-10-5-11-19-25)31-27-22-14-7-15-23-27/h4-23H,1-3H3,(H,30,32)(H,31,33)
InChIKeyCRSGTIVKHASMAS-UHFFFAOYSA-N
XLogP6.23
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.69
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-isocyano-N-phenylbenzenecarboximidamide
CID 18723551
1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
N'-[2-[bis[2-[[anilino(phenyl)methylidene]amino]ethyl]amino]ethyl]-N-phenylbenzenecarboximidamide
CID 102109940
1-N',1-N'-dimethyl-1-N-phenylethene-1,1-diamine
CID 131994247
[anilino(dimethylamino)methylidene]rhodium
CID 54707614
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
CID 12935403
[anilino(dimethylamino)methylidene]-dimethylazanium
CID 638167
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N'-(4-methoxy-1,3-benzothiazol-2-yl)-N-phenylbenzenecarboximidamide
CID 6509691
N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
CID 121015575
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305

Frequently Asked Questions

What is the IUPAC name of N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide (CID 139156190) is N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide is CN(C)[Si](C)(N=C(Nc1ccccc1)c1ccccc1)N=C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide?
The InChIKey is CRSGTIVKHASMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5Si/c1-34(2)35(3,32-28(24-16-8-4-9-17-24)30-26-20-12-6-13-21-26)33-29(25-18-10-5-11-19-25)31-27-22-14-7-15-23-27/h4-23H,1-3H3,(H,30,32)(H,31,33).
What are the key properties of N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide?
N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide has a molecular weight of 477.69 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 139156190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).