(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone

C23H17N3O — CID 135583243

IUPAC(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C\c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23(18-11-5-2-6-12-18)22(17-9-3-1-4-10-17)26-25-16-19-15-24-21-14-8-7-13-20(19)21/h1-16,24H/b25-16+,26-22-
InChIKeyFWEWNYXCCZYPAE-DDUHHROPSA-N
MW351.41 g/mol
LogP4.87
Rot. Bonds5

About (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135583243) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135583243
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(/C(=N\N=C\c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17N3O/c27-23(18-11-5-2-6-12-18)22(17-9-3-1-4-10-17)26-25-16-19-15-24-21-14-8-7-13-20(19)21/h1-16,24H/b25-16+,26-22-
InChIKeyFWEWNYXCCZYPAE-DDUHHROPSA-N
XLogP4.87
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
CID 3913229
(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 136907701
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
CID 135915344
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone (CID 135583243) is (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone is O=C(/C(=N\N=C\c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is FWEWNYXCCZYPAE-DDUHHROPSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23(18-11-5-2-6-12-18)22(17-9-3-1-4-10-17)26-25-16-19-15-24-21-14-8-7-13-20(19)21/h1-16,24H/b25-16+,26-22-.
What are the key properties of (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 351.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135583243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).