9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole

C44H26N2S6 — CID 134392065

IUPAC9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cc4sc(-c5cc6sc(-c7cc8sc(-c9ccc%10c(c9)c9ccccc9n%10C)cc8s7)cc6s5)cc4s3)ccc21
InChIInChI=1S/C44H26N2S6/c1-45-29-9-5-3-7-25(29)27-15-23(11-13-31(27)45)33-17-35-37(47-33)19-39(49-35)41-21-43-44(51-41)22-42(52-43)40-20-38-36(50-40)18-34(48-38)24-12-14-32-28(16-24)26-8-4-6-10-30(26)46(32)2/h3-22H,1-2H3
InChIKeyZBYVABNDDWELLR-UHFFFAOYSA-N
MW775.11 g/mol
LogP15.47
Rot. Bonds4

About 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole

9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole (PubChem CID 134392065) has the molecular formula C44H26N2S6 and a molecular weight of 775.11 g/mol. Its IUPAC name is 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole
PubChem CID134392065
Molecular FormulaC44H26N2S6
Molecular Weight775.11 g/mol
Exact Mass774.04
IUPAC Name9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cc4sc(-c5cc6sc(-c7cc8sc(-c9ccc%10c(c9)c9ccccc9n%10C)cc8s7)cc6s5)cc4s3)ccc21
InChIInChI=1S/C44H26N2S6/c1-45-29-9-5-3-7-25(29)27-15-23(11-13-31(27)45)33-17-35-37(47-33)19-39(49-35)41-21-43-44(51-41)22-42(52-43)40-20-38-36(50-40)18-34(48-38)24-12-14-32-28(16-24)26-8-4-6-10-30(26)46(32)2/h3-22H,1-2H3
InChIKeyZBYVABNDDWELLR-UHFFFAOYSA-N
XLogP15.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.11
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
CID 134392036
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
ethane;bis(9-methylcarbazole)
CID 159710949
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
ethane;9-methylcarbazole;triphenylene
CID 142356751
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 126632601
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole?
The IUPAC name of 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole (CID 134392065) is 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole?
The canonical SMILES for 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole is Cn1c2ccccc2c2cc(-c3cc4sc(-c5cc6sc(-c7cc8sc(-c9ccc%10c(c9)c9ccccc9n%10C)cc8s7)cc6s5)cc4s3)ccc21.
What is the InChIKey of 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole?
The InChIKey is ZBYVABNDDWELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2S6/c1-45-29-9-5-3-7-25(29)27-15-23(11-13-31(27)45)33-17-35-37(47-33)19-39(49-35)41-21-43-44(51-41)22-42(52-43)40-20-38-36(50-40)18-34(48-38)24-12-14-32-28(16-24)26-8-4-6-10-30(26)46(32)2/h3-22H,1-2H3.
What are the key properties of 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole?
9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole has a molecular weight of 775.11 g/mol, XLogP of 15.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole is sourced from PubChem (CID 134392065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).