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

C38H25NOS — CID 153011872

IUPAC9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-c3ccc4c(c3)oc3ccccc34)c12
InChIInChI=1S/C38H25NOS/c1-22-13-17-31-29(19-22)30-20-23(2)14-18-32(30)39(31)33-10-5-9-28-37-25(8-6-12-36(37)41-38(28)33)24-15-16-27-26-7-3-4-11-34(26)40-35(27)21-24/h3-21H,1-2H3
InChIKeyVAFDKTJQAVXBGN-UHFFFAOYSA-N
MW543.69 g/mol
LogP11.33
Rot. Bonds2

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

9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole (PubChem CID 153011872) has the molecular formula C38H25NOS and a molecular weight of 543.69 g/mol. Its IUPAC name is 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
PubChem CID153011872
Molecular FormulaC38H25NOS
Molecular Weight543.69 g/mol
Exact Mass543.17
IUPAC Name9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-c3ccc4c(c3)oc3ccccc34)c12
InChIInChI=1S/C38H25NOS/c1-22-13-17-31-29(19-22)30-20-23(2)14-18-32(30)39(31)33-10-5-9-28-37-25(8-6-12-36(37)41-38(28)33)24-15-16-27-26-7-3-4-11-34(26)40-35(27)21-24/h3-21H,1-2H3
InChIKeyVAFDKTJQAVXBGN-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-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158920444
9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 149098591
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-[4-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357989
9-(9-dibenzofuran-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-dimethylcarbazole
CID 159315243
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
3-dibenzofuran-3-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 165110664

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole (CID 153011872) is 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-c3ccc4c(c3)oc3ccccc34)c12.
What is the InChIKey of 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
The InChIKey is VAFDKTJQAVXBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NOS/c1-22-13-17-31-29(19-22)30-20-23(2)14-18-32(30)39(31)33-10-5-9-28-37-25(8-6-12-36(37)41-38(28)33)24-15-16-27-26-7-3-4-11-34(26)40-35(27)21-24/h3-21H,1-2H3.
What are the key properties of 9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole?
9-(9-dibenzofuran-3-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-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole is sourced from PubChem (CID 153011872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).