2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

C30H10F2N4O2S6 — CID 169314005

IUPAC2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESFc1cc2sc(-c3ncc(-c4nc5cc6cc7oc(-c8cnc(-c9cc%10sc(F)cc%10s9)s8)nc7cc6cc5o4)s3)cc2s1
InChIInChI=1S/C30H10F2N4O2S6/c31-25-7-19-17(41-25)5-21(39-19)29-33-9-23(43-29)27-35-13-1-11-3-16-14(2-12(11)4-15(13)37-27)36-28(38-16)24-10-34-30(44-24)22-6-18-20(40-22)8-26(32)42-18/h1-10H
InChIKeyALRHVBHBVVGEBZ-UHFFFAOYSA-N
MW688.83 g/mol
LogP11.53
Rot. Bonds4

About 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (PubChem CID 169314005) has the molecular formula C30H10F2N4O2S6 and a molecular weight of 688.83 g/mol. Its IUPAC name is 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
PubChem CID169314005
Molecular FormulaC30H10F2N4O2S6
Molecular Weight688.83 g/mol
Exact Mass687.91
IUPAC Name2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESFc1cc2sc(-c3ncc(-c4nc5cc6cc7oc(-c8cnc(-c9cc%10sc(F)cc%10s9)s8)nc7cc6cc5o4)s3)cc2s1
InChIInChI=1S/C30H10F2N4O2S6/c31-25-7-19-17(41-25)5-21(39-19)29-33-9-23(43-29)27-35-13-1-11-3-16-14(2-12(11)4-15(13)37-27)36-28(38-16)24-10-34-30(44-24)22-6-18-20(40-22)8-26(32)42-18/h1-10H
InChIKeyALRHVBHBVVGEBZ-UHFFFAOYSA-N
XLogP11.53
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The IUPAC name of 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (CID 169314005) is 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.
What is the SMILES notation for 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The canonical SMILES for 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is Fc1cc2sc(-c3ncc(-c4nc5cc6cc7oc(-c8cnc(-c9cc%10sc(F)cc%10s9)s8)nc7cc6cc5o4)s3)cc2s1.
What is the InChIKey of 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The InChIKey is ALRHVBHBVVGEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H10F2N4O2S6/c31-25-7-19-17(41-25)5-21(39-19)29-33-9-23(43-29)27-35-13-1-11-3-16-14(2-12(11)4-15(13)37-27)36-28(38-16)24-10-34-30(44-24)22-6-18-20(40-22)8-26(32)42-18/h1-10H.
What are the key properties of 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole has a molecular weight of 688.83 g/mol, XLogP of 11.53, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(5-fluorothieno[3,2-b]thiophen-2-yl)-1,3-thiazol-5-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 169314005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).