2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene

C64H34S12 — CID 177465253

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
SMILESc1csc(-c2ccc(-c3sc4ccccc4c3-c3c(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8sc9ccccc9c8-c8c(-c9ccc(-c%10cccs%10)s9)sc9ccccc89)s7)s6)s5)s4)sc4ccccc34)s2)c1
InChIInChI=1S/C64H34S12/c1-5-15-39-35(11-1)57(61(73-39)53-29-25-45(69-53)43-19-9-33-65-43)59-37-13-3-7-17-41(37)75-63(59)55-31-27-51(71-55)49-23-21-47(67-49)48-22-24-50(68-48)52-28-32-56(72-52)64-60(38-14-4-8-18-42(38)76-64)58-36-12-2-6-16-40(36)74-62(58)54-30-26-46(70-54)44-20-10-34-66-44/h1-34H
InChIKeyPYWADOQKSIIROP-UHFFFAOYSA-N
MW1187.78 g/mol
LogP25.37
Rot. Bonds11

About 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene

2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene (PubChem CID 177465253) has the molecular formula C64H34S12 and a molecular weight of 1187.78 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
PubChem CID177465253
Molecular FormulaC64H34S12
Molecular Weight1187.78 g/mol
Exact Mass1185.93
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
SMILESc1csc(-c2ccc(-c3sc4ccccc4c3-c3c(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8sc9ccccc9c8-c8c(-c9ccc(-c%10cccs%10)s9)sc9ccccc89)s7)s6)s5)s4)sc4ccccc34)s2)c1
InChIInChI=1S/C64H34S12/c1-5-15-39-35(11-1)57(61(73-39)53-29-25-45(69-53)43-19-9-33-65-43)59-37-13-3-7-17-41(37)75-63(59)55-31-27-51(71-55)49-23-21-47(67-49)48-22-24-50(68-48)52-28-32-56(72-52)64-60(38-14-4-8-18-42(38)76-64)58-36-12-2-6-16-40(36)74-62(58)54-30-26-46(70-54)44-20-10-34-66-44/h1-34H
InChIKeyPYWADOQKSIIROP-UHFFFAOYSA-N
XLogP25.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.78
LogP ≤ 525.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene with MolForge

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2-[5-(3,4-dibutyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-3-[2-[5-(3,5-dibutyl-6-thiophen-2-yl-4H-thiopyran-2-yl)thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene;ethane
CID 144963368
2-thiophen-2-yl-3-[5-(2-thiophen-2-yl-1-benzofuran-3-yl)thiophen-2-yl]-1-benzofuran
CID 86235074
10-methyl-9-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acridin-10-ium
CID 101465009
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)benzo[f][1]benzothiole
CID 122373287
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene (CID 177465253) is 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene is c1csc(-c2ccc(-c3sc4ccccc4c3-c3c(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8sc9ccccc9c8-c8c(-c9ccc(-c%10cccs%10)s9)sc9ccccc89)s7)s6)s5)s4)sc4ccccc34)s2)c1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene?
The InChIKey is PYWADOQKSIIROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34S12/c1-5-15-39-35(11-1)57(61(73-39)53-29-25-45(69-53)43-19-9-33-65-43)59-37-13-3-7-17-41(37)75-63(59)55-31-27-51(71-55)49-23-21-47(67-49)48-22-24-50(68-48)52-28-32-56(72-52)64-60(38-14-4-8-18-42(38)76-64)58-36-12-2-6-16-40(36)74-62(58)54-30-26-46(70-54)44-20-10-34-66-44/h1-34H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene?
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene has a molecular weight of 1187.78 g/mol, XLogP of 25.37, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene is sourced from PubChem (CID 177465253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).