10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one

C26H22N2O — CID 101199233

IUPAC10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
SMILESCN1/C(=C\N=C2/C(=O)c3ccccc3-c3ccccc32)C(C)(C)c2ccccc21
InChIInChI=1S/C26H22N2O/c1-26(2)21-14-8-9-15-22(21)28(3)23(26)16-27-24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)25(24)29/h4-16H,1-3H3/b23-16-,27-24-
InChIKeyMZPILJSBTCQOOC-SNJXSLKZSA-N
MW378.48 g/mol
LogP5.61
Rot. Bonds1

About 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one

10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one (PubChem CID 101199233) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one.

Molecular Properties

Compound Name10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
PubChem CID101199233
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
SMILESCN1/C(=C\N=C2/C(=O)c3ccccc3-c3ccccc32)C(C)(C)c2ccccc21
InChIInChI=1S/C26H22N2O/c1-26(2)21-14-8-9-15-22(21)28(3)23(26)16-27-24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)25(24)29/h4-16H,1-3H3/b23-16-,27-24-
InChIKeyMZPILJSBTCQOOC-SNJXSLKZSA-N
XLogP5.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

10-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101250838
10-[(Z)-(1-hexadecyl-3,3-dimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 177407709
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
5-(hydroxymethyl)-3-methoxy-6-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminocyclohexa-2,4-dien-1-one
CID 162462615
(2Z)-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydronaphthalen-1-one
CID 96883024
1,2-diphenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazolidine-3,5-dione
CID 58473494
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2E,5Z)-2-(dimethylaminomethylidene)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentan-1-one
CID 44669416
2,3,5-trifluoro-6-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclohexa-2,5-diene-1,4-dione
CID 59962825
(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
4-methyl-N-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]benzenesulfonamide
CID 2318317

Frequently Asked Questions

What is the IUPAC name of 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one?
The IUPAC name of 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one (CID 101199233) is 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one.
What is the SMILES notation for 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one?
The canonical SMILES for 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one is CN1/C(=C\N=C2/C(=O)c3ccccc3-c3ccccc32)C(C)(C)c2ccccc21.
What is the InChIKey of 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one?
The InChIKey is MZPILJSBTCQOOC-SNJXSLKZSA-N. The full InChI is InChI=1S/C26H22N2O/c1-26(2)21-14-8-9-15-22(21)28(3)23(26)16-27-24-19-12-6-4-10-17(19)18-11-5-7-13-20(18)25(24)29/h4-16H,1-3H3/b23-16-,27-24-.
What are the key properties of 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one?
10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one has a molecular weight of 378.48 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one is sourced from PubChem (CID 101199233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).