10-(4-phenothiazin-10-ylphenyl)phenothiazine

C30H20N2S2 — CID 5247918

IUPAC10-(4-phenothiazin-10-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C30H20N2S2/c1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h1-20H
InChIKeyFIVVELNAKHOCLN-UHFFFAOYSA-N
MW472.64 g/mol
LogP9.56
Rot. Bonds2

About 10-(4-phenothiazin-10-ylphenyl)phenothiazine

10-(4-phenothiazin-10-ylphenyl)phenothiazine (PubChem CID 5247918) has the molecular formula C30H20N2S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 10-(4-phenothiazin-10-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-phenothiazin-10-ylphenyl)phenothiazine
PubChem CID5247918
Molecular FormulaC30H20N2S2
Molecular Weight472.64 g/mol
Exact Mass472.11
IUPAC Name10-(4-phenothiazin-10-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C30H20N2S2/c1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h1-20H
InChIKeyFIVVELNAKHOCLN-UHFFFAOYSA-N
XLogP9.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-phenothiazin-10-ylphenyl)phenothiazine?
The IUPAC name of 10-(4-phenothiazin-10-ylphenyl)phenothiazine (CID 5247918) is 10-(4-phenothiazin-10-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-phenothiazin-10-ylphenyl)phenothiazine?
The canonical SMILES for 10-(4-phenothiazin-10-ylphenyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-(4-phenothiazin-10-ylphenyl)phenothiazine?
The InChIKey is FIVVELNAKHOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S2/c1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h1-20H.
What are the key properties of 10-(4-phenothiazin-10-ylphenyl)phenothiazine?
10-(4-phenothiazin-10-ylphenyl)phenothiazine has a molecular weight of 472.64 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenothiazin-10-ylphenyl)phenothiazine is sourced from PubChem (CID 5247918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).