10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine

C34H22N2S2 — CID 141449755

IUPAC10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2cc(N3c4ccccc4Sc4ccccc43)ccc2c1
InChIInChI=1S/C34H22N2S2/c1-5-13-31-27(9-1)35(28-10-2-6-14-32(28)37-31)25-19-17-24-22-26(20-18-23(24)21-25)36-29-11-3-7-15-33(29)38-34-16-8-4-12-30(34)36/h1-22H
InChIKeyYHZAYMYTQVIPGF-UHFFFAOYSA-N
MW522.70 g/mol
LogP10.71
Rot. Bonds2

About 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine

10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine (PubChem CID 141449755) has the molecular formula C34H22N2S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine.

Molecular Properties

Compound Name10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
PubChem CID141449755
Molecular FormulaC34H22N2S2
Molecular Weight522.70 g/mol
Exact Mass522.12
IUPAC Name10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2cc(N3c4ccccc4Sc4ccccc43)ccc2c1
InChIInChI=1S/C34H22N2S2/c1-5-13-31-27(9-1)35(28-10-2-6-14-32(28)37-31)25-19-17-24-22-26(20-18-23(24)21-25)36-29-11-3-7-15-33(29)38-34-16-8-4-12-30(34)36/h1-22H
InChIKeyYHZAYMYTQVIPGF-UHFFFAOYSA-N
XLogP10.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
3,7-bis(diphenylphosphoryl)-10-naphthalen-2-ylphenothiazine
CID 163854958
2-[3,5-di(phenothiazin-10-yl)phenyl]isoindole-1,3-dione
CID 130395529
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
2-(3-phenothiazin-10-ylphenyl)ethanol
CID 144772193
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
10-naphthalen-2-yl-3-(1-triphenylen-2-ylbenzimidazol-2-yl)phenothiazine
CID 163493482

Frequently Asked Questions

What is the IUPAC name of 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The IUPAC name of 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine (CID 141449755) is 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine.
What is the SMILES notation for 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The canonical SMILES for 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc2cc(N3c4ccccc4Sc4ccccc43)ccc2c1.
What is the InChIKey of 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
The InChIKey is YHZAYMYTQVIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2S2/c1-5-13-31-27(9-1)35(28-10-2-6-14-32(28)37-31)25-19-17-24-22-26(20-18-23(24)21-25)36-29-11-3-7-15-33(29)38-34-16-8-4-12-30(34)36/h1-22H.
What are the key properties of 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine?
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine has a molecular weight of 522.70 g/mol, XLogP of 10.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine is sourced from PubChem (CID 141449755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).