9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole

C30H16BrNOS — CID 147846863

IUPAC9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole
SMILESBrc1ccc2c3cc4c(cc3n(-c3ccc5sc6ccccc6c5c3)c2c1)oc1ccccc14
InChIInChI=1S/C30H16BrNOS/c31-17-9-11-19-22-15-23-20-5-1-3-7-27(20)33-28(23)16-26(22)32(25(19)13-17)18-10-12-30-24(14-18)21-6-2-4-8-29(21)34-30/h1-16H
InChIKeyHUBHNFFFQLLXIR-UHFFFAOYSA-N
MW518.44 g/mol
LogP9.81
Rot. Bonds1

About 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole

9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole (PubChem CID 147846863) has the molecular formula C30H16BrNOS and a molecular weight of 518.44 g/mol. Its IUPAC name is 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole
PubChem CID147846863
Molecular FormulaC30H16BrNOS
Molecular Weight518.44 g/mol
Exact Mass517.01
IUPAC Name9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole
SMILESBrc1ccc2c3cc4c(cc3n(-c3ccc5sc6ccccc6c5c3)c2c1)oc1ccccc14
InChIInChI=1S/C30H16BrNOS/c31-17-9-11-19-22-15-23-20-5-1-3-7-27(20)33-28(23)16-26(22)32(25(19)13-17)18-10-12-30-24(14-18)21-6-2-4-8-29(21)34-30/h1-16H
InChIKeyHUBHNFFFQLLXIR-UHFFFAOYSA-N
XLogP9.81
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-dibenzofuran-2-yl-[1]benzofuro[3,2-a]carbazole;5-dibenzofuran-2-yl-[1]benzofuro[3,2-c]carbazole;14-dibenzofuran-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-dibenzothiophen-2-yl-[1]benzofuro[3,2-a]carbazole;7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;14-dibenzothiophen-2-yl-9-oxa-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 159688697
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
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
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
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
7-bromo-2-dibenzothiophen-2-yldibenzofuran
CID 170101109
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole (CID 147846863) is 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole is Brc1ccc2c3cc4c(cc3n(-c3ccc5sc6ccccc6c5c3)c2c1)oc1ccccc14.
What is the InChIKey of 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HUBHNFFFQLLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16BrNOS/c31-17-9-11-19-22-15-23-20-5-1-3-7-27(20)33-28(23)16-26(22)32(25(19)13-17)18-10-12-30-24(14-18)21-6-2-4-8-29(21)34-30/h1-16H.
What are the key properties of 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole?
9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 518.44 g/mol, XLogP of 9.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 147846863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).