1-phenazin-1-yl-10H-phenothiazine

C24H15N3S — CID 141092471

IUPAC1-phenazin-1-yl-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(cccc1-c1cccc3nc4ccccc4nc13)S2
InChIInChI=1S/C24H15N3S/c1-2-10-18-17(9-1)25-20-12-5-7-15(23(20)26-18)16-8-6-14-22-24(16)27-19-11-3-4-13-21(19)28-22/h1-14,27H
InChIKeyYKOJPSQCPJCLOI-UHFFFAOYSA-N
MW377.47 g/mol
LogP6.66
Rot. Bonds1

About 1-phenazin-1-yl-10H-phenothiazine

1-phenazin-1-yl-10H-phenothiazine (PubChem CID 141092471) has the molecular formula C24H15N3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-phenazin-1-yl-10H-phenothiazine.

Molecular Properties

Compound Name1-phenazin-1-yl-10H-phenothiazine
PubChem CID141092471
Molecular FormulaC24H15N3S
Molecular Weight377.47 g/mol
Exact Mass377.10
IUPAC Name1-phenazin-1-yl-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(cccc1-c1cccc3nc4ccccc4nc13)S2
InChIInChI=1S/C24H15N3S/c1-2-10-18-17(9-1)25-20-12-5-7-15(23(20)26-18)16-8-6-14-22-24(16)27-19-11-3-4-13-21(19)28-22/h1-14,27H
InChIKeyYKOJPSQCPJCLOI-UHFFFAOYSA-N
XLogP6.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenazin-1-yl-10H-phenothiazine?
The IUPAC name of 1-phenazin-1-yl-10H-phenothiazine (CID 141092471) is 1-phenazin-1-yl-10H-phenothiazine.
What is the SMILES notation for 1-phenazin-1-yl-10H-phenothiazine?
The canonical SMILES for 1-phenazin-1-yl-10H-phenothiazine is c1ccc2c(c1)Nc1c(cccc1-c1cccc3nc4ccccc4nc13)S2.
What is the InChIKey of 1-phenazin-1-yl-10H-phenothiazine?
The InChIKey is YKOJPSQCPJCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3S/c1-2-10-18-17(9-1)25-20-12-5-7-15(23(20)26-18)16-8-6-14-22-24(16)27-19-11-3-4-13-21(19)28-22/h1-14,27H.
What are the key properties of 1-phenazin-1-yl-10H-phenothiazine?
1-phenazin-1-yl-10H-phenothiazine has a molecular weight of 377.47 g/mol, XLogP of 6.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenazin-1-yl-10H-phenothiazine is sourced from PubChem (CID 141092471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).