2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

C32H14N4O4S2 — CID 169314270

IUPAC2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESc1csc(-c2nc3cc4cc5oc(-c6nc7cc8cc9oc(-c%10cccs%10)nc9cc8cc7o6)nc5cc4cc3o2)c1
InChIInChI=1S/C32H14N4O4S2/c1-3-27(41-5-1)29-33-19-7-15-13-25-21(9-17(15)11-23(19)37-29)35-31(39-25)32-36-22-10-18-12-24-20(8-16(18)14-26(22)40-32)34-30(38-24)28-4-2-6-42-28/h1-14H
InChIKeyPMFBCZSHCVGTAZ-UHFFFAOYSA-N
MW582.62 g/mol
LogP9.68
Rot. Bonds3

About 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (PubChem CID 169314270) has the molecular formula C32H14N4O4S2 and a molecular weight of 582.62 g/mol. Its IUPAC name is 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
PubChem CID169314270
Molecular FormulaC32H14N4O4S2
Molecular Weight582.62 g/mol
Exact Mass582.05
IUPAC Name2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESc1csc(-c2nc3cc4cc5oc(-c6nc7cc8cc9oc(-c%10cccs%10)nc9cc8cc7o6)nc5cc4cc3o2)c1
InChIInChI=1S/C32H14N4O4S2/c1-3-27(41-5-1)29-33-19-7-15-13-25-21(9-17(15)11-23(19)37-29)35-31(39-25)32-36-22-10-18-12-24-20(8-16(18)14-26(22)40-32)34-30(38-24)28-4-2-6-42-28/h1-14H
InChIKeyPMFBCZSHCVGTAZ-UHFFFAOYSA-N
XLogP9.68
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.62
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
CID 102366712
thiophene;2-thiophen-2-yl-1,3-benzoxazole
CID 174523834
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
CID 67465258
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
2,7-bis(5-pyrimidin-5-ylthiophen-2-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314279
(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
CID 54527249
5-propan-2-yl-2-thiophen-2-yl-1,3-benzoxazol-7-amine
CID 82095460
2,7-bis(2-phenyl-1-benzothiophen-6-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314051
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The IUPAC name of 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (CID 169314270) is 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.
What is the SMILES notation for 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The canonical SMILES for 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is c1csc(-c2nc3cc4cc5oc(-c6nc7cc8cc9oc(-c%10cccs%10)nc9cc8cc7o6)nc5cc4cc3o2)c1.
What is the InChIKey of 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The InChIKey is PMFBCZSHCVGTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14N4O4S2/c1-3-27(41-5-1)29-33-19-7-15-13-25-21(9-17(15)11-23(19)37-29)35-31(39-25)32-36-22-10-18-12-24-20(8-16(18)14-26(22)40-32)34-30(38-24)28-4-2-6-42-28/h1-14H.
What are the key properties of 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole has a molecular weight of 582.62 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 169314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).