10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine

C56H36N6S2 — CID 118532565

IUPAC10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Sc5ccccc54)c3n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6S2/c1-5-21-37(22-6-1)55-57-49-51(59(55)39-25-9-3-10-26-39)54(62-43-31-15-19-35-47(43)64-48-36-20-16-32-44(48)62)50-52(60(40-27-11-4-12-28-40)56(58-50)38-23-7-2-8-24-38)53(49)61-41-29-13-17-33-45(41)63-46-34-18-14-30-42(46)61/h1-36H
InChIKeyZIVHHIHDLYKAFB-UHFFFAOYSA-N
MW857.08 g/mol
LogP15.57
Rot. Bonds6

About 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine

10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine (PubChem CID 118532565) has the molecular formula C56H36N6S2 and a molecular weight of 857.08 g/mol. Its IUPAC name is 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine.

Molecular Properties

Compound Name10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
PubChem CID118532565
Molecular FormulaC56H36N6S2
Molecular Weight857.08 g/mol
Exact Mass856.24
IUPAC Name10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Sc5ccccc54)c3n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6S2/c1-5-21-37(22-6-1)55-57-49-51(59(55)39-25-9-3-10-26-39)54(62-43-31-15-19-35-47(43)64-48-36-20-16-32-44(48)62)50-52(60(40-27-11-4-12-28-40)56(58-50)38-23-7-2-8-24-38)53(49)61-41-29-13-17-33-45(41)63-46-34-18-14-30-42(46)61/h1-36H
InChIKeyZIVHHIHDLYKAFB-UHFFFAOYSA-N
XLogP15.57
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.08
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]phenothiazine
CID 147241998
10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
CID 118532545
N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline
CID 159363471
10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
CID 118429659
10-[4-[6-[5-[4-[9,9-dimethyl-10-[3,5,6-tris(9,9-dimethylacridin-10-yl)-4-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-2-pyridinyl]acridin-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]-2,5-di(phenothiazin-10-yl)-6-phenoxazin-10-yl-3-pyridinyl]phenoxazine
CID 147650567
2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;10-(2-methylphenyl)phenothiazine
CID 144918505
10-[9-(2,5-diphenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]phenothiazine
CID 90162845
1,2-diphenyl-5-(26-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)benzimidazole
CID 134571968
5-[3-(1,2-diphenylbenzimidazol-5-yl)-5-spiro[fluorene-9,9'-thioxanthene]-3-ylphenyl]-1,2-diphenylbenzimidazole
CID 164783790
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
perchloric acid;10-phenylphenothiazine
CID 71365783

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine?
The IUPAC name of 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine (CID 118532565) is 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine.
What is the SMILES notation for 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine?
The canonical SMILES for 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine is c1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Sc5ccccc54)c3n2-c2ccccc2)cc1.
What is the InChIKey of 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine?
The InChIKey is ZIVHHIHDLYKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6S2/c1-5-21-37(22-6-1)55-57-49-51(59(55)39-25-9-3-10-26-39)54(62-43-31-15-19-35-47(43)64-48-36-20-16-32-44(48)62)50-52(60(40-27-11-4-12-28-40)56(58-50)38-23-7-2-8-24-38)53(49)61-41-29-13-17-33-45(41)63-46-34-18-14-30-42(46)61/h1-36H.
What are the key properties of 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine?
10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine has a molecular weight of 857.08 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine is sourced from PubChem (CID 118532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).