N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine

C23H20N2S — CID 12841898

IUPACN,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
SMILESC1=C(Nc2ccccc2)CC(c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C23H20N2S/c1-4-10-18(11-5-1)22-16-21(24-19-12-6-2-7-13-19)17-23(26-22)25-20-14-8-3-9-15-20/h1-15,17,22,24H,16H2/b25-23-
InChIKeyACMJUDINDIVNJN-BZZOAKBMSA-N
MW356.49 g/mol
LogP6.59
Rot. Bonds4

About N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine

N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine (PubChem CID 12841898) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine.

Molecular Properties

Compound NameN,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
PubChem CID12841898
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC NameN,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
SMILESC1=C(Nc2ccccc2)CC(c2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C23H20N2S/c1-4-10-18(11-5-1)22-16-21(24-19-12-6-2-7-13-19)17-23(26-22)25-20-14-8-3-9-15-20/h1-15,17,22,24H,16H2/b25-23-
InChIKeyACMJUDINDIVNJN-BZZOAKBMSA-N
XLogP6.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.59
H-Bond Donors ≤ 51
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 N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The IUPAC name of N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine (CID 12841898) is N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine.
What is the SMILES notation for N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The canonical SMILES for N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine is C1=C(Nc2ccccc2)CC(c2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The InChIKey is ACMJUDINDIVNJN-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H20N2S/c1-4-10-18(11-5-1)22-16-21(24-19-12-6-2-7-13-19)17-23(26-22)25-20-14-8-3-9-15-20/h1-15,17,22,24H,16H2/b25-23-.
What are the key properties of N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine has a molecular weight of 356.49 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine is sourced from PubChem (CID 12841898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).