(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone

C31H20N2O — CID 139051846

IUPAC(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone
SMILESO=C(/C(=N\N=C\c1ccc2ccc3cccc4ccc1c2c34)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H20N2O/c34-31(25-10-5-2-6-11-25)30(24-8-3-1-4-9-24)33-32-20-26-17-16-23-15-14-21-12-7-13-22-18-19-27(26)29(23)28(21)22/h1-20H/b32-20+,33-30-
InChIKeyMMKXAKKJRDIYEM-CWERLSJMSA-N
MW436.51 g/mol
LogP7.29
Rot. Bonds5

About (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone

(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone (PubChem CID 139051846) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone.

Molecular Properties

Compound Name(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone
PubChem CID139051846
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone
SMILESO=C(/C(=N\N=C\c1ccc2ccc3cccc4ccc1c2c34)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H20N2O/c34-31(25-10-5-2-6-11-25)30(24-8-3-1-4-9-24)33-32-20-26-17-16-23-15-14-21-12-7-13-22-18-19-27(26)29(23)28(21)22/h1-20H/b32-20+,33-30-
InChIKeyMMKXAKKJRDIYEM-CWERLSJMSA-N
XLogP7.29
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.29
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
(2E)-2-[(Z)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 136907701
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
4-[(pyren-1-ylmethylidenehydrazinylidene)methyl]phenol
CID 137021592
(2E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135736502
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
1,5-dimethyl-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]pyrrole-2-carbonitrile
CID 9074428
(2,3-dibenzoylpyren-1-yl)-phenylmethanone
CID 87274326
[2-methoxy-4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenyl] acetate
CID 8972472
2-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidenehydrazinylidene]-1,2-diphenylethanone
CID 3249979
1-(diazomethyl)pyrene
CID 161167887

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone?
The IUPAC name of (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone (CID 139051846) is (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone.
What is the SMILES notation for (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone?
The canonical SMILES for (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone is O=C(/C(=N\N=C\c1ccc2ccc3cccc4ccc1c2c34)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone?
The InChIKey is MMKXAKKJRDIYEM-CWERLSJMSA-N. The full InChI is InChI=1S/C31H20N2O/c34-31(25-10-5-2-6-11-25)30(24-8-3-1-4-9-24)33-32-20-26-17-16-23-15-14-21-12-7-13-22-18-19-27(26)29(23)28(21)22/h1-20H/b32-20+,33-30-.
What are the key properties of (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone?
(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone has a molecular weight of 436.51 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone is sourced from PubChem (CID 139051846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).