N'-hydroxy-4-tritylbenzenecarboximidamide

C26H22N2O — CID 174553752

IUPACN'-hydroxy-4-tritylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O/c27-25(28-29)20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,29H,(H2,27,28)
InChIKeyVDYMDDDTROYWQQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.16
Rot. Bonds5

About N'-hydroxy-4-tritylbenzenecarboximidamide

N'-hydroxy-4-tritylbenzenecarboximidamide (PubChem CID 174553752) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is N'-hydroxy-4-tritylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-tritylbenzenecarboximidamide
PubChem CID174553752
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC NameN'-hydroxy-4-tritylbenzenecarboximidamide
SMILESNC(=NO)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O/c27-25(28-29)20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,29H,(H2,27,28)
InChIKeyVDYMDDDTROYWQQ-UHFFFAOYSA-N
XLogP5.16
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
CID 149151725
4-tert-butyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 2908825
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
CID 156800040
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-tritylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-tritylbenzenecarboximidamide (CID 174553752) is N'-hydroxy-4-tritylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-tritylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-tritylbenzenecarboximidamide is NC(=NO)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-4-tritylbenzenecarboximidamide?
The InChIKey is VDYMDDDTROYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c27-25(28-29)20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,29H,(H2,27,28).
What are the key properties of N'-hydroxy-4-tritylbenzenecarboximidamide?
N'-hydroxy-4-tritylbenzenecarboximidamide has a molecular weight of 378.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-tritylbenzenecarboximidamide is sourced from PubChem (CID 174553752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).