3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine

C47H28N4S — CID 168836117

IUPAC3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2sc3cc(-n4c5ccccc5c5ccccc54)ncc3c2c1
InChIInChI=1S/C47H28N4S/c1-6-18-38-30(12-1)31-13-2-7-19-39(31)49(38)29-24-25-43-36(26-29)34-16-5-8-20-40(34)50(43)44-23-11-17-35-37-28-48-46(27-45(37)52-47(35)44)51-41-21-9-3-14-32(41)33-15-4-10-22-42(33)51/h1-28H
InChIKeyBDSIRTCUWXMGCQ-UHFFFAOYSA-N
MW680.84 g/mol
LogP12.74
Rot. Bonds3

About 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine (PubChem CID 168836117) has the molecular formula C47H28N4S and a molecular weight of 680.84 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
PubChem CID168836117
Molecular FormulaC47H28N4S
Molecular Weight680.84 g/mol
Exact Mass680.20
IUPAC Name3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2sc3cc(-n4c5ccccc5c5ccccc54)ncc3c2c1
InChIInChI=1S/C47H28N4S/c1-6-18-38-30(12-1)31-13-2-7-19-39(31)49(38)29-24-25-43-36(26-29)34-16-5-8-20-40(34)50(43)44-23-11-17-35-37-28-48-46(27-45(37)52-47(35)44)51-41-21-9-3-14-32(41)33-15-4-10-22-42(33)51/h1-28H
InChIKeyBDSIRTCUWXMGCQ-UHFFFAOYSA-N
XLogP12.74
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
CID 171416886
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine (CID 168836117) is 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine is c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2sc3cc(-n4c5ccccc5c5ccccc54)ncc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is BDSIRTCUWXMGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S/c1-6-18-38-30(12-1)31-13-2-7-19-39(31)49(38)29-24-25-43-36(26-29)34-16-5-8-20-40(34)50(43)44-23-11-17-35-37-28-48-46(27-45(37)52-47(35)44)51-41-21-9-3-14-32(41)33-15-4-10-22-42(33)51/h1-28H.
What are the key properties of 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine?
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 680.84 g/mol, XLogP of 12.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 168836117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).