9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole

C38H25NOS — CID 149098591

IUPAC9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C38H25NOS/c1-22-10-14-32-28(18-22)29-19-23(2)11-15-33(29)39(32)34-8-5-7-27-31-21-25(13-17-37(31)41-38(27)34)24-12-16-36-30(20-24)26-6-3-4-9-35(26)40-36/h3-21H,1-2H3
InChIKeyQUCBDLHBBMQKEL-UHFFFAOYSA-N
MW543.69 g/mol
LogP11.33
Rot. Bonds2

About 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole

9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole (PubChem CID 149098591) has the molecular formula C38H25NOS and a molecular weight of 543.69 g/mol. Its IUPAC name is 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
PubChem CID149098591
Molecular FormulaC38H25NOS
Molecular Weight543.69 g/mol
Exact Mass543.17
IUPAC Name9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C38H25NOS/c1-22-10-14-32-28(18-22)29-19-23(2)11-15-33(29)39(32)34-8-5-7-27-31-21-25(13-17-37(31)41-38(27)34)24-12-16-36-30(20-24)26-6-3-4-9-35(26)40-36/h3-21H,1-2H3
InChIKeyQUCBDLHBBMQKEL-UHFFFAOYSA-N
XLogP11.33
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.69
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 153011872
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459
8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 161307551
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
9-(2-dibenzofuran-2-ylphenyl)-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169284782
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
CID 158809298
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 160623255

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole (CID 149098591) is 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1ccc(-c3ccc4oc5ccccc5c4c3)cc12.
What is the InChIKey of 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The InChIKey is QUCBDLHBBMQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NOS/c1-22-10-14-32-28(18-22)29-19-23(2)11-15-33(29)39(32)34-8-5-7-27-31-21-25(13-17-37(31)41-38(27)34)24-12-16-36-30(20-24)26-6-3-4-9-35(26)40-36/h3-21H,1-2H3.
What are the key properties of 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole has a molecular weight of 543.69 g/mol, XLogP of 11.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole is sourced from PubChem (CID 149098591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).