6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine

C58H34N6S — CID 134351404

IUPAC6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H34N6S/c1-9-25-43-35(17-1)36-18-2-10-26-44(36)61(43)53-51-52-58(60-34-33-59-52)65-57(51)56(64-49-31-15-7-23-41(49)42-24-8-16-32-50(42)64)55(63-47-29-13-5-21-39(47)40-22-6-14-30-48(40)63)54(53)62-45-27-11-3-19-37(45)38-20-4-12-28-46(38)62/h1-34H
InChIKeySNTBRVWIUUQGKP-UHFFFAOYSA-N
MW847.02 g/mol
LogP15.23
Rot. Bonds4

About 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine

6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 134351404) has the molecular formula C58H34N6S and a molecular weight of 847.02 g/mol. Its IUPAC name is 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID134351404
Molecular FormulaC58H34N6S
Molecular Weight847.02 g/mol
Exact Mass846.26
IUPAC Name6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C58H34N6S/c1-9-25-43-35(17-1)36-18-2-10-26-44(36)61(43)53-51-52-58(60-34-33-59-52)65-57(51)56(64-49-31-15-7-23-41(49)42-24-8-16-32-50(42)64)55(63-47-29-13-5-21-39(47)40-22-6-14-30-48(40)63)54(53)62-45-27-11-3-19-37(45)38-20-4-12-28-46(38)62/h1-34H
InChIKeySNTBRVWIUUQGKP-UHFFFAOYSA-N
XLogP15.23
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.02
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine 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

6,7,8-tri(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351439
6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351429
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
CID 135130975
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
6,7,8,9-tetra(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine;6,7,8-tri(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine;6,8,9-tri(carbazol-9-yl)-[1]benzoselenolo[2,3-b]pyrazine
CID 162263111
5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 164791660
9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
CID 135130886
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
CID 145186124

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine (CID 134351404) is 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine is c1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is SNTBRVWIUUQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N6S/c1-9-25-43-35(17-1)36-18-2-10-26-44(36)61(43)53-51-52-58(60-34-33-59-52)65-57(51)56(64-49-31-15-7-23-41(49)42-24-8-16-32-50(42)64)55(63-47-29-13-5-21-39(47)40-22-6-14-30-48(40)63)54(53)62-45-27-11-3-19-37(45)38-20-4-12-28-46(38)62/h1-34H.
What are the key properties of 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 847.02 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 134351404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).