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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Related Compounds

10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
CID 67307696
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291643
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
10-[4-(2,6-diphenyl-4-pyridinyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine;10-[3,5-di(triphenylen-2-yl)phenyl]phenothiazine;10-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]phenothiazine;10-[4-(5-phenylthiophen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenothiazine
CID 161090107
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
10-[3-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]phenyl]phenothiazine
CID 170402986
3-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-10-naphthalen-2-ylphenothiazine
CID 134476040
2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 118014153
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998

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).