2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone

C19H22N2O — CID 2803521

IUPAC2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
SMILESCc1c(C)c(C)c(C(=O)C(=NN)c2ccccc2)c(C)c1C
InChIInChI=1S/C19H22N2O/c1-11-12(2)14(4)17(15(5)13(11)3)19(22)18(21-20)16-9-7-6-8-10-16/h6-10H,20H2,1-5H3
InChIKeyPKPLICUVJGFQLF-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.77
Rot. Bonds3

About 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone

2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone (PubChem CID 2803521) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
PubChem CID2803521
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
SMILESCc1c(C)c(C)c(C(=O)C(=NN)c2ccccc2)c(C)c1C
InChIInChI=1S/C19H22N2O/c1-11-12(2)14(4)17(15(5)13(11)3)19(22)18(21-20)16-9-7-6-8-10-16/h6-10H,20H2,1-5H3
InChIKeyPKPLICUVJGFQLF-UHFFFAOYSA-N
XLogP3.77
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydrazonodeoxybenzoin
CID 5538956
(2Z)-2-hydrazinylidene-1,2-diphenylethanone
CID 5370734
2-Hydrazinylideneacenaphthylen-1-one
CID 231433
Ethanone, diazodiphenyl-
CID 137954
10-Iminophenanthren-9-one
CID 283892
Ethanone, 2-phenyl-1-(2,4,6-trimethylphenyl)-
CID 347997
2-[(E)-[4-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]phenyl]methylideneamino]guanidine
CID 134142007
2-Hydrazinylidene-1,2-diphenylethanone
CID 79289
4,4'-Difluorobenzil monohydrazone
CID 85443296
(10E)-10-diazophenanthren-9-one
CID 139225996
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)phenyl]-phenylmethanone
CID 71541514

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone?
The IUPAC name of 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone (CID 2803521) is 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone?
The canonical SMILES for 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone is Cc1c(C)c(C)c(C(=O)C(=NN)c2ccccc2)c(C)c1C.
What is the InChIKey of 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone?
The InChIKey is PKPLICUVJGFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-11-12(2)14(4)17(15(5)13(11)3)19(22)18(21-20)16-9-7-6-8-10-16/h6-10H,20H2,1-5H3.
What are the key properties of 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone?
2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone has a molecular weight of 294.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone is sourced from PubChem (CID 2803521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).