10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine

C36H22N4OS — CID 130396218

IUPAC10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccnc2c1ccc1c(N3c4ccccc4Sc4ccccc43)ccnc12
InChIInChI=1S/C36H22N4OS/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)25-19-21-37-35-23(25)17-18-24-26(20-22-38-36(24)35)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H
InChIKeyZIOCWNQLTHYOMQ-UHFFFAOYSA-N
MW558.67 g/mol
LogP10.29
Rot. Bonds2

About 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine

10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine (PubChem CID 130396218) has the molecular formula C36H22N4OS and a molecular weight of 558.67 g/mol. Its IUPAC name is 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine
PubChem CID130396218
Molecular FormulaC36H22N4OS
Molecular Weight558.67 g/mol
Exact Mass558.15
IUPAC Name10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccnc2c1ccc1c(N3c4ccccc4Sc4ccccc43)ccnc12
InChIInChI=1S/C36H22N4OS/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)25-19-21-37-35-23(25)17-18-24-26(20-22-38-36(24)35)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H
InChIKeyZIOCWNQLTHYOMQ-UHFFFAOYSA-N
XLogP10.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-[4-Phenothiazin-10-yl-6,8-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290713
2-Phenoxy-1,4,8,9-tetraazatriphenylene
CID 156587782
2-(1,10-phenanthrolin-2-yloxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 166442527
3-methyl-2-(1,10-phenanthrolin-2-yloxy)-N,N-diphenylaniline
CID 166442528
N-methyl-2-(1,10-phenanthrolin-2-yloxy)-N-phenylaniline
CID 166442530
2-[2,6-Bis(phenylsulfanyl)phenoxy]-1,10-phenanthroline
CID 166442974
2-(2-Methyl-6-phenylsulfanylphenoxy)-1,10-phenanthroline
CID 166443301
dichloromethane;2-(1,10-phenanthrolin-2-yloxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 168345378
10-[3,5-Bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine
CID 58251172
2-[2-(1,10-Phenanthrolin-2-yl)spiro[thioxanthene-9,9'-xanthene]-2'-yl]-1,10-phenanthroline
CID 59096361
10-(5-Phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine
CID 59183706
10-[9,10-Bis(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219455

Frequently Asked Questions

What is the IUPAC name of 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine?
The IUPAC name of 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine (CID 130396218) is 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine.
What is the SMILES notation for 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine?
The canonical SMILES for 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccnc2c1ccc1c(N3c4ccccc4Sc4ccccc43)ccnc12.
What is the InChIKey of 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine?
The InChIKey is ZIOCWNQLTHYOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4OS/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)25-19-21-37-35-23(25)17-18-24-26(20-22-38-36(24)35)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H.
What are the key properties of 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine?
10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine has a molecular weight of 558.67 g/mol, XLogP of 10.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-phenothiazin-10-yl-1,10-phenanthrolin-4-yl)phenoxazine is sourced from PubChem (CID 130396218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).