5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole

C42H23NOS2 — CID 170286844

IUPAC5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc34)cc12
InChIInChI=1S/C42H23NOS2/c1-4-10-34-32(9-1)41-35(19-18-31-28-8-3-6-12-38(28)46-42(31)41)43(34)26-15-17-30-29-16-13-25(22-39(29)45-40(30)23-26)24-14-20-37-33(21-24)27-7-2-5-11-36(27)44-37/h1-23H
InChIKeyJSIAMMMYGQOONK-UHFFFAOYSA-N
MW621.79 g/mol
LogP13.09
Rot. Bonds2

About 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole

5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 170286844) has the molecular formula C42H23NOS2 and a molecular weight of 621.79 g/mol. Its IUPAC name is 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID170286844
Molecular FormulaC42H23NOS2
Molecular Weight621.79 g/mol
Exact Mass621.12
IUPAC Name5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc34)cc12
InChIInChI=1S/C42H23NOS2/c1-4-10-34-32(9-1)41-35(19-18-31-28-8-3-6-12-38(28)46-42(31)41)43(34)26-15-17-30-29-16-13-25(22-39(29)45-40(30)23-26)24-14-20-37-33(21-24)27-7-2-5-11-36(27)44-37/h1-23H
InChIKeyJSIAMMMYGQOONK-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

3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
12-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]carbazole
CID 163531287
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154413
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
14-(7-dibenzothiophen-2-yldibenzofuran-3-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 170688519
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082

Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole (CID 170286844) is 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)sc3cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)ccc34)cc12.
What is the InChIKey of 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is JSIAMMMYGQOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NOS2/c1-4-10-34-32(9-1)41-35(19-18-31-28-8-3-6-12-38(28)46-42(31)41)43(34)26-15-17-30-29-16-13-25(22-39(29)45-40(30)23-26)24-14-20-37-33(21-24)27-7-2-5-11-36(27)44-37/h1-23H.
What are the key properties of 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]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 5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 170286844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).