10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine

C41H26N2S — CID 89368097

IUPAC10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(N3c4ccccc4Sc4ccccc43)c2)nc1
InChIInChI=1S/C41H26N2S/c1-2-13-33-31(11-1)32-12-3-4-14-34(32)36-26-27(20-21-35(33)36)28-23-29(37-15-9-10-22-42-37)25-30(24-28)43-38-16-5-7-18-40(38)44-41-19-8-6-17-39(41)43/h1-26H
InChIKeyCWMNYOCTOSEUMM-UHFFFAOYSA-N
MW578.74 g/mol
LogP11.81
Rot. Bonds3

About 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine

10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine (PubChem CID 89368097) has the molecular formula C41H26N2S and a molecular weight of 578.74 g/mol. Its IUPAC name is 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
PubChem CID89368097
Molecular FormulaC41H26N2S
Molecular Weight578.74 g/mol
Exact Mass578.18
IUPAC Name10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine
SMILESc1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(N3c4ccccc4Sc4ccccc43)c2)nc1
InChIInChI=1S/C41H26N2S/c1-2-13-33-31(11-1)32-12-3-4-14-34(32)36-26-27(20-21-35(33)36)28-23-29(37-15-9-10-22-42-37)25-30(24-28)43-38-16-5-7-18-40(38)44-41-19-8-6-17-39(41)43/h1-26H
InChIKeyCWMNYOCTOSEUMM-UHFFFAOYSA-N
XLogP11.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine?
The IUPAC name of 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine (CID 89368097) is 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine?
The canonical SMILES for 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine is c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(N3c4ccccc4Sc4ccccc43)c2)nc1.
What is the InChIKey of 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine?
The InChIKey is CWMNYOCTOSEUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2S/c1-2-13-33-31(11-1)32-12-3-4-14-34(32)36-26-27(20-21-35(33)36)28-23-29(37-15-9-10-22-42-37)25-30(24-28)43-38-16-5-7-18-40(38)44-41-19-8-6-17-39(41)43/h1-26H.
What are the key properties of 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine?
10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine has a molecular weight of 578.74 g/mol, XLogP of 11.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)phenothiazine is sourced from PubChem (CID 89368097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).