9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole

C37H24N2S — CID 126754707

IUPAC9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c12
InChIInChI=1S/C37H24N2S/c1-23-17-19-33-28(21-23)27-11-4-7-14-32(27)39(33)34-15-8-16-36-37(34)29-22-24(18-20-35(29)40-36)38-30-12-5-2-9-25(30)26-10-3-6-13-31(26)38/h2-22H,1H3
InChIKeyFKZYHGUKALWNHJ-UHFFFAOYSA-N
MW528.68 g/mol
LogP10.56
Rot. Bonds2

About 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole

9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole (PubChem CID 126754707) has the molecular formula C37H24N2S and a molecular weight of 528.68 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
PubChem CID126754707
Molecular FormulaC37H24N2S
Molecular Weight528.68 g/mol
Exact Mass528.17
IUPAC Name9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c12
InChIInChI=1S/C37H24N2S/c1-23-17-19-33-28(21-23)27-11-4-7-14-32(27)39(33)34-15-8-16-36-37(34)29-22-24(18-20-35(29)40-36)38-30-12-5-2-9-25(30)26-10-3-6-13-31(26)38/h2-22H,1H3
InChIKeyFKZYHGUKALWNHJ-UHFFFAOYSA-N
XLogP10.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
CID 174151035
CID 174151035
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
CID 118396582
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole?
The IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole (CID 126754707) is 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1cccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c12.
What is the InChIKey of 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole?
The InChIKey is FKZYHGUKALWNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2S/c1-23-17-19-33-28(21-23)27-11-4-7-14-32(27)39(33)34-15-8-16-36-37(34)29-22-24(18-20-35(29)40-36)38-30-12-5-2-9-25(30)26-10-3-6-13-31(26)38/h2-22H,1H3.
What are the key properties of 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole?
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole has a molecular weight of 528.68 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole is sourced from PubChem (CID 126754707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).