11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole

C42H23NOS2 — CID 146532997

IUPAC11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc34)cccc12
InChIInChI=1S/C42H23NOS2/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-6-18-38(27)45-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-5-17-37(26)44-41(28)29/h1-23H
InChIKeySMUNAQPEVVAHAN-UHFFFAOYSA-N
MW621.79 g/mol
LogP13.09
Rot. Bonds2

About 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole

11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 146532997) has the molecular formula C42H23NOS2 and a molecular weight of 621.79 g/mol. Its IUPAC name is 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID146532997
Molecular FormulaC42H23NOS2
Molecular Weight621.79 g/mol
Exact Mass621.12
IUPAC Name11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc34)cccc12
InChIInChI=1S/C42H23NOS2/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-6-18-38(27)45-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-5-17-37(26)44-41(28)29/h1-23H
InChIKeySMUNAQPEVVAHAN-UHFFFAOYSA-N
XLogP13.09
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.79
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
7-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[2,3-b]carbazole;11-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole;14-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159997786
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
CID 170278507
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968

Frequently Asked Questions

What is the IUPAC name of 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole (CID 146532997) is 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc2c(c1)oc1c(-c3cccc4c3sc3ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc34)cccc12.
What is the InChIKey of 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is SMUNAQPEVVAHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NOS2/c1-4-16-35-25(9-1)32-23-40-34(27-11-3-6-18-38(27)45-40)22-36(32)43(35)24-19-20-39-33(21-24)31-15-8-14-30(42(31)46-39)29-13-7-12-28-26-10-2-5-17-37(26)44-41(28)29/h1-23H.
What are the key properties of 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole?
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 621.79 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 146532997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).