1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine

C24H20N4S — CID 176734742

IUPAC1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine
SMILESNN(c1ccccc1)c1ccc2sc3ccc(N(N)c4ccccc4)cc3c2c1
InChIInChI=1S/C24H20N4S/c25-27(17-7-3-1-4-8-17)19-11-13-23-21(15-19)22-16-20(12-14-24(22)29-23)28(26)18-9-5-2-6-10-18/h1-16H,25-26H2
InChIKeyCJYCXSZQUUMOTB-UHFFFAOYSA-N
MW396.52 g/mol
LogP6.08
Rot. Bonds4

About 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine

1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine (PubChem CID 176734742) has the molecular formula C24H20N4S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine.

Molecular Properties

Compound Name1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine
PubChem CID176734742
Molecular FormulaC24H20N4S
Molecular Weight396.52 g/mol
Exact Mass396.14
IUPAC Name1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine
SMILESNN(c1ccccc1)c1ccc2sc3ccc(N(N)c4ccccc4)cc3c2c1
InChIInChI=1S/C24H20N4S/c25-27(17-7-3-1-4-8-17)19-11-13-23-21(15-19)22-16-20(12-14-24(22)29-23)28(26)18-9-5-2-6-10-18/h1-16H,25-26H2
InChIKeyCJYCXSZQUUMOTB-UHFFFAOYSA-N
XLogP6.08
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine?
The IUPAC name of 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine (CID 176734742) is 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine.
What is the SMILES notation for 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine?
The canonical SMILES for 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine is NN(c1ccccc1)c1ccc2sc3ccc(N(N)c4ccccc4)cc3c2c1.
What is the InChIKey of 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine?
The InChIKey is CJYCXSZQUUMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4S/c25-27(17-7-3-1-4-8-17)19-11-13-23-21(15-19)22-16-20(12-14-24(22)29-23)28(26)18-9-5-2-6-10-18/h1-16H,25-26H2.
What are the key properties of 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine?
1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine has a molecular weight of 396.52 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(N-aminoanilino)dibenzothiophen-2-yl]-1-phenylhydrazine is sourced from PubChem (CID 176734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).