(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one

C29H21N3O — CID 132990633

IUPAC(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one
SMILESNc1ccccc1/C(=C1/C(=O)N(c2ccccc2)c2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C29H21N3O/c30-23-15-7-5-13-21(23)27(25-18-19-10-4-8-16-24(19)31-25)28-22-14-6-9-17-26(22)32(29(28)33)20-11-2-1-3-12-20/h1-18,31H,30H2/b28-27-
InChIKeyRPMITYHJDMDHJN-DQSJHHFOSA-N
MW427.51 g/mol
LogP6.39
Rot. Bonds3

About (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one

(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one (PubChem CID 132990633) has the molecular formula C29H21N3O and a molecular weight of 427.51 g/mol. Its IUPAC name is (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one
PubChem CID132990633
Molecular FormulaC29H21N3O
Molecular Weight427.51 g/mol
Exact Mass427.17
IUPAC Name(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one
SMILESNc1ccccc1/C(=C1/C(=O)N(c2ccccc2)c2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C29H21N3O/c30-23-15-7-5-13-21(23)27(25-18-19-10-4-8-16-24(19)31-25)28-22-14-6-9-17-26(22)32(29(28)33)20-11-2-1-3-12-20/h1-18,31H,30H2/b28-27-
InChIKeyRPMITYHJDMDHJN-DQSJHHFOSA-N
XLogP6.39
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one?
The IUPAC name of (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one (CID 132990633) is (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one.
What is the SMILES notation for (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one?
The canonical SMILES for (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one is Nc1ccccc1/C(=C1/C(=O)N(c2ccccc2)c2ccccc21)c1cc2ccccc2[nH]1.
What is the InChIKey of (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one?
The InChIKey is RPMITYHJDMDHJN-DQSJHHFOSA-N. The full InChI is InChI=1S/C29H21N3O/c30-23-15-7-5-13-21(23)27(25-18-19-10-4-8-16-24(19)31-25)28-22-14-6-9-17-26(22)32(29(28)33)20-11-2-1-3-12-20/h1-18,31H,30H2/b28-27-.
What are the key properties of (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one?
(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one has a molecular weight of 427.51 g/mol, XLogP of 6.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one is sourced from PubChem (CID 132990633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).