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

C34H20N4S — CID 134351429

IUPAC6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H20N4S/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)37(26)30-18-17-25-31-34(36-20-19-35-31)39-33(25)32(30)38-28-15-7-3-11-23(28)24-12-4-8-16-29(24)38/h1-20H
InChIKeyMLFNMKBQXCBQIS-UHFFFAOYSA-N
MW516.63 g/mol
LogP9.04
Rot. Bonds2

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

6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 134351429) has the molecular formula C34H20N4S and a molecular weight of 516.63 g/mol. Its IUPAC name is 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID134351429
Molecular FormulaC34H20N4S
Molecular Weight516.63 g/mol
Exact Mass516.14
IUPAC Name6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C34H20N4S/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)37(26)30-18-17-25-31-34(36-20-19-35-31)39-33(25)32(30)38-28-15-7-3-11-23(28)24-12-4-8-16-29(24)38/h1-20H
InChIKeyMLFNMKBQXCBQIS-UHFFFAOYSA-N
XLogP9.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,8-tri(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351439
6,7,8,9-tetra(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351404
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
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
10-[3-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063859
(8-carbazol-9-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-diphenyl-(8-pyrido[3,2-b]indol-5-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)silane
CID 140811727
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713

Frequently Asked Questions

What is the IUPAC name of 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine (CID 134351429) is 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(sc3nccnc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is MLFNMKBQXCBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4S/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)37(26)30-18-17-25-31-34(36-20-19-35-31)39-33(25)32(30)38-28-15-7-3-11-23(28)24-12-4-8-16-29(24)38/h1-20H.
What are the key properties of 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine?
6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 516.63 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 134351429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).