5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole

C42H23NOS2 — CID 146533082

IUPAC5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc34)c12
InChIInChI=1S/C42H23NOS2/c1-4-15-33-30(10-1)40-34(21-20-29-25-9-3-6-18-37(25)46-42(29)40)43(33)24-19-22-38-32(23-24)28-14-7-13-27(41(28)45-38)26-12-8-17-36-39(26)31-11-2-5-16-35(31)44-36/h1-23H
InChIKeyNDKJQTPHUYPGAT-UHFFFAOYSA-N
MW621.79 g/mol
LogP13.09
Rot. Bonds2

About 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole

5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146533082) has the molecular formula C42H23NOS2 and a molecular weight of 621.79 g/mol. Its IUPAC name is 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID146533082
Molecular FormulaC42H23NOS2
Molecular Weight621.79 g/mol
Exact Mass621.12
IUPAC Name5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc34)c12
InChIInChI=1S/C42H23NOS2/c1-4-15-33-30(10-1)40-34(21-20-29-25-9-3-6-18-37(25)46-42(29)40)43(33)24-19-22-38-32(23-24)28-14-7-13-27(41(28)45-38)26-12-8-17-36-39(26)31-11-2-5-16-35(31)44-36/h1-23H
InChIKeyNDKJQTPHUYPGAT-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

9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146532916
3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130231214
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
8-(24-dibenzothiophen-2-yl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-[1]benzofuro[3,2-b]pyridine
CID 118391194
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]carbazole
CID 169011495
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 147409157
6-dibenzothiophen-2-yl-11-phenyl-21-oxa-6,11-diazahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1,3,5(20),7(19),8,10(18),12(17),13,15-nonaene
CID 135130545

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 146533082) is 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc2c(c1)oc1cccc(-c3cccc4c3sc3ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc34)c12.
What is the InChIKey of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is NDKJQTPHUYPGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23NOS2/c1-4-15-33-30(10-1)40-34(21-20-29-25-9-3-6-18-37(25)46-42(29)40)43(33)24-19-22-38-32(23-24)28-14-7-13-27(41(28)45-38)26-12-8-17-36-39(26)31-11-2-5-16-35(31)44-36/h1-23H.
What are the key properties of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(6-dibenzofuran-1-yldibenzothiophen-2-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-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146533082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).