(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one

C29H23N3O3 — CID 162787009

IUPAC(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H23N3O3/c33-29-28(24-13-7-8-14-25(24)31-29)32-30-18-23-15-16-26(34-19-21-9-3-1-4-10-21)27(17-23)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32,33)/b30-18+
InChIKeyPAFGZEUAOZGPKL-UXHLAJHPSA-N
MW461.52 g/mol
LogP5.62
Rot. Bonds8

About (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one

(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 162787009) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
PubChem CID162787009
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H23N3O3/c33-29-28(24-13-7-8-14-25(24)31-29)32-30-18-23-15-16-26(34-19-21-9-3-1-4-10-21)27(17-23)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32,33)/b30-18+
InChIKeyPAFGZEUAOZGPKL-UXHLAJHPSA-N
XLogP5.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', '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

(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135425137
3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135676256
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137239581
2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135533537
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one (CID 162787009) is (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is PAFGZEUAOZGPKL-UXHLAJHPSA-N. The full InChI is InChI=1S/C29H23N3O3/c33-29-28(24-13-7-8-14-25(24)31-29)32-30-18-23-15-16-26(34-19-21-9-3-1-4-10-21)27(17-23)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32,33)/b30-18+.
What are the key properties of (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one?
(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 461.52 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 162787009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).