(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one

C28H16F2N2O2 — CID 12067382

IUPAC(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
SMILESO=C1/C(=C2/C(=O)c3ccccc3N2c2ccc(F)cc2)N(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H16F2N2O2/c29-17-9-13-19(14-10-17)31-23-7-3-1-5-21(23)27(33)25(31)26-28(34)22-6-2-4-8-24(22)32(26)20-15-11-18(30)12-16-20/h1-16H/b26-25+
InChIKeyFWTFQDVNTPQGAH-OCEACIFDSA-N
MW450.44 g/mol
LogP6.55
Rot. Bonds2

About (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one

(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one (PubChem CID 12067382) has the molecular formula C28H16F2N2O2 and a molecular weight of 450.44 g/mol. Its IUPAC name is (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one.

Molecular Properties

Compound Name(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
PubChem CID12067382
Molecular FormulaC28H16F2N2O2
Molecular Weight450.44 g/mol
Exact Mass450.12
IUPAC Name(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
SMILESO=C1/C(=C2/C(=O)c3ccccc3N2c2ccc(F)cc2)N(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C28H16F2N2O2/c29-17-9-13-19(14-10-17)31-23-7-3-1-5-21(23)27(33)25(31)26-28(34)22-6-2-4-8-24(22)32(26)20-15-11-18(30)12-16-20/h1-16H/b26-25+
InChIKeyFWTFQDVNTPQGAH-OCEACIFDSA-N
XLogP6.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.44
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one?
The IUPAC name of (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one (CID 12067382) is (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one.
What is the SMILES notation for (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one?
The canonical SMILES for (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one is O=C1/C(=C2/C(=O)c3ccccc3N2c2ccc(F)cc2)N(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one?
The InChIKey is FWTFQDVNTPQGAH-OCEACIFDSA-N. The full InChI is InChI=1S/C28H16F2N2O2/c29-17-9-13-19(14-10-17)31-23-7-3-1-5-21(23)27(33)25(31)26-28(34)22-6-2-4-8-24(22)32(26)20-15-11-18(30)12-16-20/h1-16H/b26-25+.
What are the key properties of (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one?
(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one has a molecular weight of 450.44 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one is sourced from PubChem (CID 12067382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).