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

C52H32N6O2 — CID 118532604

IUPAC10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(-n4c5ccccc5n5c6ccccc6cc45)c3o2)cc1
InChIInChI=1S/C52H32N6O2/c1-4-18-33(19-5-1)51-53-45-47(55(51)36-23-8-3-9-24-36)48(57-40-28-14-16-30-42(40)59-43-31-17-15-29-41(43)57)46-50(60-52(54-46)34-20-6-2-7-21-34)49(45)58-39-27-13-12-26-38(39)56-37-25-11-10-22-35(37)32-44(56)58/h1-32H
InChIKeyBWNWFVSJSPBRGD-UHFFFAOYSA-N
MW772.87 g/mol
LogP13.43
Rot. Bonds5

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

10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine (PubChem CID 118532604) has the molecular formula C52H32N6O2 and a molecular weight of 772.87 g/mol. Its IUPAC name is 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine.

Molecular Properties

Compound Name10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine
PubChem CID118532604
Molecular FormulaC52H32N6O2
Molecular Weight772.87 g/mol
Exact Mass772.26
IUPAC Name10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(-n4c5ccccc5n5c6ccccc6cc45)c3o2)cc1
InChIInChI=1S/C52H32N6O2/c1-4-18-33(19-5-1)51-53-45-47(55(51)36-23-8-3-9-24-36)48(57-40-28-14-16-30-42(40)59-43-31-17-15-29-41(43)57)46-50(60-52(54-46)34-20-6-2-7-21-34)49(45)58-39-27-13-12-26-38(39)56-37-25-11-10-22-35(37)32-44(56)58/h1-32H
InChIKeyBWNWFVSJSPBRGD-UHFFFAOYSA-N
XLogP13.43
TPSA65.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.87
LogP ≤ 513.43
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-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine?
The IUPAC name of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine (CID 118532604) is 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine.
What is the SMILES notation for 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine?
The canonical SMILES for 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine is c1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(-n4c5ccccc5n5c6ccccc6cc45)c3o2)cc1.
What is the InChIKey of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine?
The InChIKey is BWNWFVSJSPBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6O2/c1-4-18-33(19-5-1)51-53-45-47(55(51)36-23-8-3-9-24-36)48(57-40-28-14-16-30-42(40)59-43-31-17-15-29-41(43)57)46-50(60-52(54-46)34-20-6-2-7-21-34)49(45)58-39-27-13-12-26-38(39)56-37-25-11-10-22-35(37)32-44(56)58/h1-32H.
What are the key properties of 10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine?
10-(8-indolo[1,2-a]benzimidazol-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine has a molecular weight of 772.87 g/mol, XLogP of 13.43, 5 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-2,5,6-triphenylimidazo[4,5-f][1,3]benzoxazol-4-yl)phenoxazine is sourced from PubChem (CID 118532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).