2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C40H22N2S6 — CID 170274963

IUPAC2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1ccc(-c2ccc3sc(-c4ccc(-c5nc6sc(-c7ccc(-c8cc9cc(-c%10ccccc%10)ccc9s8)s7)nc6s5)s4)cc3c2)cc1
InChIInChI=1S/C40H22N2S6/c1-3-7-23(8-4-1)25-11-13-29-27(19-25)21-35(43-29)31-15-17-33(45-31)37-41-39-40(47-37)42-38(48-39)34-18-16-32(46-34)36-22-28-20-26(12-14-30(28)44-36)24-9-5-2-6-10-24/h1-22H
InChIKeyUKWCSGNWLXYHKR-UHFFFAOYSA-N
MW723.03 g/mol
LogP14.31
Rot. Bonds6

About 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 170274963) has the molecular formula C40H22N2S6 and a molecular weight of 723.03 g/mol. Its IUPAC name is 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID170274963
Molecular FormulaC40H22N2S6
Molecular Weight723.03 g/mol
Exact Mass722.01
IUPAC Name2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1ccc(-c2ccc3sc(-c4ccc(-c5nc6sc(-c7ccc(-c8cc9cc(-c%10ccccc%10)ccc9s8)s7)nc6s5)s4)cc3c2)cc1
InChIInChI=1S/C40H22N2S6/c1-3-7-23(8-4-1)25-11-13-29-27(19-25)21-35(43-29)31-15-17-33(45-31)37-41-39-40(47-37)42-38(48-39)34-18-16-32(46-34)36-22-28-20-26(12-14-30(28)44-36)24-9-5-2-6-10-24/h1-22H
InChIKeyUKWCSGNWLXYHKR-UHFFFAOYSA-N
XLogP14.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.03
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
2-phenyl-5-[7-(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 171415490
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
7-[6-(2-phenyl-1-benzothiophen-5-yl)naphthalen-2-yl]-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167363996
2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
CID 58971382
5-anthracen-2-yl-2-[5-[5-[5-(5-anthracen-2-yl-1,3-thiazol-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazole
CID 59464643
2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile
CID 170275781
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 170274963) is 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is c1ccc(-c2ccc3sc(-c4ccc(-c5nc6sc(-c7ccc(-c8cc9cc(-c%10ccccc%10)ccc9s8)s7)nc6s5)s4)cc3c2)cc1.
What is the InChIKey of 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is UKWCSGNWLXYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2S6/c1-3-7-23(8-4-1)25-11-13-29-27(19-25)21-35(43-29)31-15-17-33(45-31)37-41-39-40(47-37)42-38(48-39)34-18-16-32(46-34)36-22-28-20-26(12-14-30(28)44-36)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 723.03 g/mol, XLogP of 14.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 170274963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).