3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one

C24H16N2OS — CID 10385124

IUPAC3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one
SMILESO=C1/C(=N/c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccsc1
InChIInChI=1S/C24H16N2OS/c27-24-23(21-8-4-5-9-22(21)26(24)20-14-15-28-16-20)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H/b25-23+
InChIKeyZOQOHMIVPJFKGW-WJTDDFOZSA-N
MW380.47 g/mol
LogP6.21
Rot. Bonds3

About 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one

3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one (PubChem CID 10385124) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one
PubChem CID10385124
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC Name3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one
SMILESO=C1/C(=N/c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccsc1
InChIInChI=1S/C24H16N2OS/c27-24-23(21-8-4-5-9-22(21)26(24)20-14-15-28-16-20)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H/b25-23+
InChIKeyZOQOHMIVPJFKGW-WJTDDFOZSA-N
XLogP6.21
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one?
The IUPAC name of 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one (CID 10385124) is 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one.
What is the SMILES notation for 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one?
The canonical SMILES for 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one is O=C1/C(=N/c2ccc(-c3ccccc3)cc2)c2ccccc2N1c1ccsc1.
What is the InChIKey of 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one?
The InChIKey is ZOQOHMIVPJFKGW-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H16N2OS/c27-24-23(21-8-4-5-9-22(21)26(24)20-14-15-28-16-20)25-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H/b25-23+.
What are the key properties of 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one?
3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one has a molecular weight of 380.47 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)imino-1-thiophen-3-ylindol-2-one is sourced from PubChem (CID 10385124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).