10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine

C36H23N5S2 — CID 118429659

IUPAC10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
SMILESc1ccc(-n2nc3c(N4c5ccccc5Sc5ccccc54)ccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1
InChIInChI=1S/C36H23N5S2/c1-2-12-24(13-3-1)41-37-35-29(39-25-14-4-8-18-31(25)42-32-19-9-5-15-26(32)39)22-23-30(36(35)38-41)40-27-16-6-10-20-33(27)43-34-21-11-7-17-28(34)40/h1-23H
InChIKeyKGELNASLFYNJSY-UHFFFAOYSA-N
MW589.75 g/mol
LogP10.29
Rot. Bonds3

About 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine

10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine (PubChem CID 118429659) has the molecular formula C36H23N5S2 and a molecular weight of 589.75 g/mol. Its IUPAC name is 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine.

Molecular Properties

Compound Name10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
PubChem CID118429659
Molecular FormulaC36H23N5S2
Molecular Weight589.75 g/mol
Exact Mass589.14
IUPAC Name10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
SMILESc1ccc(-n2nc3c(N4c5ccccc5Sc5ccccc54)ccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1
InChIInChI=1S/C36H23N5S2/c1-2-12-24(13-3-1)41-37-35-29(39-25-14-4-8-18-31(25)42-32-19-9-5-15-26(32)39)22-23-30(36(35)38-41)40-27-16-6-10-20-33(27)43-34-21-11-7-17-28(34)40/h1-23H
InChIKeyKGELNASLFYNJSY-UHFFFAOYSA-N
XLogP10.29
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.75
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
CID 118429483
perchloric acid;10-phenylphenothiazine
CID 71365783
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
3-tert-butyl-10-phenylphenothiazine
CID 134252291
10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
CID 118532565
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
CID 130438684
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
10-phenyl-2,3-dihydrophenothiazine
CID 70828454

Frequently Asked Questions

What is the IUPAC name of 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine?
The IUPAC name of 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine (CID 118429659) is 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine.
What is the SMILES notation for 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine?
The canonical SMILES for 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine is c1ccc(-n2nc3c(N4c5ccccc5Sc5ccccc54)ccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine?
The InChIKey is KGELNASLFYNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5S2/c1-2-12-24(13-3-1)41-37-35-29(39-25-14-4-8-18-31(25)42-32-19-9-5-15-26(32)39)22-23-30(36(35)38-41)40-27-16-6-10-20-33(27)43-34-21-11-7-17-28(34)40/h1-23H.
What are the key properties of 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine?
10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine has a molecular weight of 589.75 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine is sourced from PubChem (CID 118429659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).