10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine

C46H27N5OS2 — CID 118532497

IUPAC10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine
SMILESc1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6cc45)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C46H27N5OS2/c1-3-15-28(16-4-1)45-47-39-41(50-34-23-11-13-25-36(34)52-37-26-14-12-24-35(37)50)43-40(48-46(53-43)29-17-5-2-6-18-29)42(44(39)54-45)51-33-22-10-9-21-32(33)49-31-20-8-7-19-30(31)27-38(49)51/h1-27H
InChIKeyJYLYEWFKQCUMNU-UHFFFAOYSA-N
MW729.89 g/mol
LogP13.17
Rot. Bonds4

About 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine

10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine (PubChem CID 118532497) has the molecular formula C46H27N5OS2 and a molecular weight of 729.89 g/mol. Its IUPAC name is 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine
PubChem CID118532497
Molecular FormulaC46H27N5OS2
Molecular Weight729.89 g/mol
Exact Mass729.17
IUPAC Name10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine
SMILESc1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6cc45)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C46H27N5OS2/c1-3-15-28(16-4-1)45-47-39-41(50-34-23-11-13-25-36(34)52-37-26-14-12-24-35(37)50)43-40(48-46(53-43)29-17-5-2-6-18-29)42(44(39)54-45)51-33-22-10-9-21-32(33)49-31-20-8-7-19-30(31)27-38(49)51/h1-27H
InChIKeyJYLYEWFKQCUMNU-UHFFFAOYSA-N
XLogP13.17
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.89
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine?
The IUPAC name of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine (CID 118532497) is 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine.
What is the SMILES notation for 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine?
The canonical SMILES for 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine is c1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6cc45)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1.
What is the InChIKey of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine?
The InChIKey is JYLYEWFKQCUMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5OS2/c1-3-15-28(16-4-1)45-47-39-41(50-34-23-11-13-25-36(34)52-37-26-14-12-24-35(37)50)43-40(48-46(53-43)29-17-5-2-6-18-29)42(44(39)54-45)51-33-22-10-9-21-32(33)49-31-20-8-7-19-30(31)27-38(49)51/h1-27H.
What are the key properties of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine?
10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine has a molecular weight of 729.89 g/mol, XLogP of 13.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl)phenoxazine is sourced from PubChem (CID 118532497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).