7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole

C42H23NO2S — CID 146532880

IUPAC7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1
InChIInChI=1S/C42H23NO2S/c1-4-16-35-25(9-1)32-22-34-26-10-2-5-17-37(26)44-39(34)23-36(32)43(35)24-19-20-38-33(21-24)29-13-7-12-28(41(29)45-38)31-15-8-14-30-27-11-3-6-18-40(27)46-42(30)31/h1-23H
InChIKeyVSIGXVNIPALCOV-UHFFFAOYSA-N
MW605.72 g/mol
LogP12.62
Rot. Bonds2

About 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 146532880) has the molecular formula C42H23NO2S and a molecular weight of 605.72 g/mol. Its IUPAC name is 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID146532880
Molecular FormulaC42H23NO2S
Molecular Weight605.72 g/mol
Exact Mass605.14
IUPAC Name7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1
InChIInChI=1S/C42H23NO2S/c1-4-16-35-25(9-1)32-22-34-26-10-2-5-17-37(26)44-39(34)23-36(32)43(35)24-19-20-38-33(21-24)29-13-7-12-28(41(29)45-38)31-15-8-14-30-27-11-3-6-18-40(27)46-42(30)31/h1-23H
InChIKeyVSIGXVNIPALCOV-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

Analyze 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063

Frequently Asked Questions

What is the IUPAC name of 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 146532880) is 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2oc3c(-c4cccc5c4sc4ccccc45)cccc3c2c1.
What is the InChIKey of 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is VSIGXVNIPALCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NO2S/c1-4-16-35-25(9-1)32-22-34-26-10-2-5-17-37(26)44-39(34)23-36(32)43(35)24-19-20-38-33(21-24)29-13-7-12-28(41(29)45-38)31-15-8-14-30-27-11-3-6-18-40(27)46-42(30)31/h1-23H.
What are the key properties of 7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(6-dibenzothiophen-4-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-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).