7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole

C36H14F4S6 — CID 170275070

IUPAC7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
SMILESFc1cc2cc3cc4sc(-c5cc(F)c(-c6sc(-c7cc8cc9cc%10sc(F)cc%10cc9cc8s7)cc6F)s5)cc4cc3cc2s1
InChIInChI=1S/C36H14F4S6/c37-23-13-31(29-9-19-1-15-7-27-21(11-33(39)43-27)3-17(15)5-25(19)41-29)45-35(23)36-24(38)14-32(46-36)30-10-20-2-16-8-28-22(12-34(40)44-28)4-18(16)6-26(20)42-30/h1-14H
InChIKeyTUKVTXDIQRZUQN-UHFFFAOYSA-N
MW714.90 g/mol
LogP14.53
Rot. Bonds3

About 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole

7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole (PubChem CID 170275070) has the molecular formula C36H14F4S6 and a molecular weight of 714.90 g/mol. Its IUPAC name is 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole.

Molecular Properties

Compound Name7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
PubChem CID170275070
Molecular FormulaC36H14F4S6
Molecular Weight714.90 g/mol
Exact Mass713.94
IUPAC Name7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
SMILESFc1cc2cc3cc4sc(-c5cc(F)c(-c6sc(-c7cc8cc9cc%10sc(F)cc%10cc9cc8s7)cc6F)s5)cc4cc3cc2s1
InChIInChI=1S/C36H14F4S6/c37-23-13-31(29-9-19-1-15-7-27-21(11-33(39)43-27)3-17(15)5-25(19)41-29)45-35(23)36-24(38)14-32(46-36)30-10-20-2-16-8-28-22(12-34(40)44-28)4-18(16)6-26(20)42-30/h1-14H
InChIKeyTUKVTXDIQRZUQN-UHFFFAOYSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.90
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole?
The IUPAC name of 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole (CID 170275070) is 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole.
What is the SMILES notation for 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole?
The canonical SMILES for 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole is Fc1cc2cc3cc4sc(-c5cc(F)c(-c6sc(-c7cc8cc9cc%10sc(F)cc%10cc9cc8s7)cc6F)s5)cc4cc3cc2s1.
What is the InChIKey of 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole?
The InChIKey is TUKVTXDIQRZUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H14F4S6/c37-23-13-31(29-9-19-1-15-7-27-21(11-33(39)43-27)3-17(15)5-25(19)41-29)45-35(23)36-24(38)14-32(46-36)30-10-20-2-16-8-28-22(12-34(40)44-28)4-18(16)6-26(20)42-30/h1-14H.
What are the key properties of 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole?
7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole has a molecular weight of 714.90 g/mol, XLogP of 14.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole is sourced from PubChem (CID 170275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).