7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole

C42H23NO2S — CID 146532996

IUPAC7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5sc6ccccc6c45)cccc3c2c1
InChIInChI=1S/C42H23NO2S/c1-4-15-34-25(9-1)31-22-33-26-10-2-5-16-36(26)44-38(33)23-35(31)43(34)24-19-20-37-32(21-24)29-14-7-13-28(42(29)45-37)27-12-8-18-40-41(27)30-11-3-6-17-39(30)46-40/h1-23H
InChIKeyLZXDMFMFCCMUMR-UHFFFAOYSA-N
MW605.72 g/mol
LogP12.62
Rot. Bonds2

About 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 146532996) has the molecular formula C42H23NO2S and a molecular weight of 605.72 g/mol. Its IUPAC name is 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID146532996
Molecular FormulaC42H23NO2S
Molecular Weight605.72 g/mol
Exact Mass605.14
IUPAC Name7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5sc6ccccc6c45)cccc3c2c1
InChIInChI=1S/C42H23NO2S/c1-4-15-34-25(9-1)31-22-33-26-10-2-5-16-36(26)44-38(33)23-35(31)43(34)24-19-20-37-32(21-24)29-14-7-13-28(42(29)45-37)27-12-8-18-40-41(27)30-11-3-6-17-39(30)46-40/h1-23H
InChIKeyLZXDMFMFCCMUMR-UHFFFAOYSA-N
XLogP12.62
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
5-(6-dibenzofuran-1-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)carbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3,6-diphenylcarbazole;9-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 157256089
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
12-(6-dibenzofuran-1-yldibenzofuran-2-yl)-5-naphthalen-2-yl-9-phenylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-5-naphthalen-2-yl-9-phenylindolo[3,2-c]carbazole
CID 158498894
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981

Frequently Asked Questions

What is the IUPAC name of 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 146532996) is 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5sc6ccccc6c45)cccc3c2c1.
What is the InChIKey of 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is LZXDMFMFCCMUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO2S/c1-4-15-34-25(9-1)31-22-33-26-10-2-5-16-36(26)44-38(33)23-35(31)43(34)24-19-20-37-32(21-24)29-14-7-13-28(42(29)45-37)27-12-8-18-40-41(27)30-11-3-6-17-39(30)46-40/h1-23H.
What are the key properties of 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 605.72 g/mol, XLogP of 12.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).