5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine

C54H42N2S5 — CID 71182218

IUPAC5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cc4sc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8sc(-c9ccc(C)s9)c9nc(C)c(C)nc89)s7)ccc5-6)cc4s3)ccc1-2
InChIInChI=1S/C54H42N2S5/c1-27-9-14-34-35-16-12-32(23-40(35)53(5,6)38(34)21-27)45-25-47-48(59-45)26-46(60-47)33-13-17-37-36-15-11-31(22-39(36)54(7,8)41(37)24-33)42-19-20-44(58-42)52-50-49(55-29(3)30(4)56-50)51(61-52)43-18-10-28(2)57-43/h9-26H,1-8H3
InChIKeyWHNQIEXLFJXYPV-UHFFFAOYSA-N
MW879.28 g/mol
LogP17.27
Rot. Bonds5

About 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine

5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine (PubChem CID 71182218) has the molecular formula C54H42N2S5 and a molecular weight of 879.28 g/mol. Its IUPAC name is 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine
PubChem CID71182218
Molecular FormulaC54H42N2S5
Molecular Weight879.28 g/mol
Exact Mass878.20
IUPAC Name5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3cc4sc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8sc(-c9ccc(C)s9)c9nc(C)c(C)nc89)s7)ccc5-6)cc4s3)ccc1-2
InChIInChI=1S/C54H42N2S5/c1-27-9-14-34-35-16-12-32(23-40(35)53(5,6)38(34)21-27)45-25-47-48(59-45)26-46(60-47)33-13-17-37-36-15-11-31(22-39(36)54(7,8)41(37)24-33)42-19-20-44(58-42)52-50-49(55-29(3)30(4)56-50)51(61-52)43-18-10-28(2)57-43/h9-26H,1-8H3
InChIKeyWHNQIEXLFJXYPV-UHFFFAOYSA-N
XLogP17.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.28
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine with MolForge

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole
CID 71102116
5-[5-[7-[2-(7-methyl-9,9-dioctylfluoren-2-yl)-3,6-dioctylthieno[3,2-b]thiophen-5-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,3-dioctylthieno[3,4-b]pyrazine
CID 89349033
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 155449285
2,7,9,9-tetramethylfluorene
CID 22951928
2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
CID 58880749
5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-dipentylquinoxaline
CID 58500683
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole
CID 20593658
7-(7-methyl-9,9-dioctylfluoren-2-yl)-4-[7-(2-methylthieno[3,2-b]thiophen-5-yl)-9,9-dioctylfluoren-2-yl]-2,1,3-benzothiadiazole
CID 89280835
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
5-[5-[9,9,18,18-tetramethyl-15-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaen-6-yl]thiophen-2-yl]thiophen-2-amine
CID 143844034

Frequently Asked Questions

What is the IUPAC name of 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine?
The IUPAC name of 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine (CID 71182218) is 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine.
What is the SMILES notation for 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine?
The canonical SMILES for 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine is Cc1ccc2c(c1)C(C)(C)c1cc(-c3cc4sc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8sc(-c9ccc(C)s9)c9nc(C)c(C)nc89)s7)ccc5-6)cc4s3)ccc1-2.
What is the InChIKey of 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine?
The InChIKey is WHNQIEXLFJXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2S5/c1-27-9-14-34-35-16-12-32(23-40(35)53(5,6)38(34)21-27)45-25-47-48(59-45)26-46(60-47)33-13-17-37-36-15-11-31(22-39(36)54(7,8)41(37)24-33)42-19-20-44(58-42)52-50-49(55-29(3)30(4)56-50)51(61-52)43-18-10-28(2)57-43/h9-26H,1-8H3.
What are the key properties of 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine?
5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine has a molecular weight of 879.28 g/mol, XLogP of 17.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[9,9-dimethyl-7-[2-(7,9,9-trimethylfluoren-2-yl)thieno[3,2-b]thiophen-5-yl]fluoren-2-yl]thiophen-2-yl]-2,3-dimethyl-7-(5-methylthiophen-2-yl)thieno[3,4-b]pyrazine is sourced from PubChem (CID 71182218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).