1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid

C27H28N2O3S — CID 161475420

IUPAC1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid
SMILESCNN(C)c1ccccc1.O=S(=O)(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O3S.C8H12N2/c20-23(21,22)19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-10(2)8-6-4-3-5-7-8/h1-15H,(H,20,21,22);3-7,9H,1-2H3
InChIKeyWDQKEVVXEJZMQN-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.12
Rot. Bonds6

About 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid

1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid (PubChem CID 161475420) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid.

Molecular Properties

Compound Name1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid
PubChem CID161475420
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid
SMILESCNN(C)c1ccccc1.O=S(=O)(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O3S.C8H12N2/c20-23(21,22)19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-10(2)8-6-4-3-5-7-8/h1-15H,(H,20,21,22);3-7,9H,1-2H3
InChIKeyWDQKEVVXEJZMQN-UHFFFAOYSA-N
XLogP5.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-1-phenylhydrazine;hydrochloride
CID 21217204
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1-phenylethane-1,1-disulfonic acid
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bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
lithium;tert-butylbenzene;hydride;sulfuric acid
CID 173469295
N,N',N",N"-tetramethyl-1-phenylmethanetriamine
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tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
tert-butyl(phenyl)sulfamic acid
CID 141481050
sodium;3-(dimethylaminooxy)-2-(methylamino)-3-oxo-1-phenylpropane-1,1,2-trisulfonic acid;hydride
CID 174287353

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid?
The IUPAC name of 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid (CID 161475420) is 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid.
What is the SMILES notation for 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid?
The canonical SMILES for 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid is CNN(C)c1ccccc1.O=S(=O)(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid?
The InChIKey is WDQKEVVXEJZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S.C8H12N2/c20-23(21,22)19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-10(2)8-6-4-3-5-7-8/h1-15H,(H,20,21,22);3-7,9H,1-2H3.
What are the key properties of 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid?
1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid has a molecular weight of 460.60 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-phenylhydrazine;triphenylmethanesulfonic acid is sourced from PubChem (CID 161475420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).