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

C35H21N3S — CID 118334713

IUPAC6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12
InChIInChI=1S/C35H21N3S/c1-4-13-28-23(9-1)24-10-2-5-14-29(24)37(28)22-18-19-31-27(21-22)25-11-3-6-15-30(25)38(31)32-16-7-12-26-34-33(39-35(26)32)17-8-20-36-34/h1-21H
InChIKeyXVQUZRZWZHHNJL-UHFFFAOYSA-N
MW515.64 g/mol
LogP9.64
Rot. Bonds2

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

6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine (PubChem CID 118334713) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
PubChem CID118334713
Molecular FormulaC35H21N3S
Molecular Weight515.64 g/mol
Exact Mass515.15
IUPAC Name6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12
InChIInChI=1S/C35H21N3S/c1-4-13-28-23(9-1)24-10-2-5-14-29(24)37(28)22-18-19-31-27(21-22)25-11-3-6-15-30(25)38(31)32-16-7-12-26-34-33(39-35(26)32)17-8-20-36-34/h1-21H
InChIKeyXVQUZRZWZHHNJL-UHFFFAOYSA-N
XLogP9.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168811229
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
CID 168836117
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
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
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-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine (CID 118334713) is 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine is c1cnc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12.
What is the InChIKey of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is XVQUZRZWZHHNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-4-13-28-23(9-1)24-10-2-5-14-29(24)37(28)22-18-19-31-27(21-22)25-11-3-6-15-30(25)38(31)32-16-7-12-26-34-33(39-35(26)32)17-8-20-36-34/h1-21H.
What are the key properties of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine?
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 515.64 g/mol, XLogP of 9.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 118334713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).