N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline

C24H20N2S2 — CID 3009843

IUPACN-phenyl-N-[(N-phenylanilino)disulfanyl]aniline
SMILESc1ccc(N(SSN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20N2S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyDPIUGZKWLNIXOB-UHFFFAOYSA-N
MW400.57 g/mol
LogP7.87
Rot. Bonds7

About N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline

N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline (PubChem CID 3009843) has the molecular formula C24H20N2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[(N-phenylanilino)disulfanyl]aniline
PubChem CID3009843
Molecular FormulaC24H20N2S2
Molecular Weight400.57 g/mol
Exact Mass400.11
IUPAC NameN-phenyl-N-[(N-phenylanilino)disulfanyl]aniline
SMILESc1ccc(N(SSN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20N2S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyDPIUGZKWLNIXOB-UHFFFAOYSA-N
XLogP7.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline?
The IUPAC name of N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline (CID 3009843) is N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline.
What is the SMILES notation for N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline?
The canonical SMILES for N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline is c1ccc(N(SSN(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline?
The InChIKey is DPIUGZKWLNIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline?
N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline has a molecular weight of 400.57 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[(N-phenylanilino)disulfanyl]aniline is sourced from PubChem (CID 3009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).