9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole

C36H21NOS — CID 170278265

IUPAC9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)c12
InChIInChI=1S/C36H21NOS/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)37(29)22-19-20-33-28(21-22)36-26(13-8-18-34(36)39-33)25-12-7-17-32-35(25)27-11-3-6-16-31(27)38-32/h1-21H
InChIKeySCXIUUKMPHFSLV-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole

9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole (PubChem CID 170278265) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
PubChem CID170278265
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)c12
InChIInChI=1S/C36H21NOS/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)37(29)22-19-20-33-28(21-22)36-26(13-8-18-34(36)39-33)25-12-7-17-32-35(25)27-11-3-6-16-31(27)38-32/h1-21H
InChIKeySCXIUUKMPHFSLV-UHFFFAOYSA-N
XLogP10.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632
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
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
CID 170286447
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole (CID 170278265) is 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole is c1ccc2c(c1)oc1cccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)c12.
What is the InChIKey of 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole?
The InChIKey is SCXIUUKMPHFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)37(29)22-19-20-33-28(21-22)36-26(13-8-18-34(36)39-33)25-12-7-17-32-35(25)27-11-3-6-16-31(27)38-32/h1-21H.
What are the key properties of 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole?
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole has a molecular weight of 515.64 g/mol, XLogP of 10.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 170278265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).