3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole

C48H26F2N2OS — CID 58511007

IUPAC3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C48H26F2N2OS/c49-29-11-17-45-37(23-29)38-25-31(13-18-46(38)53-45)51-41-7-3-1-5-33(41)35-21-27(9-15-43(35)51)28-10-16-44-36(22-28)34-6-2-4-8-42(34)52(44)32-14-20-48-40(26-32)39-24-30(50)12-19-47(39)54-48/h1-26H
InChIKeyWNMADMCPCQAMHW-UHFFFAOYSA-N
MW716.81 g/mol
LogP14.09
Rot. Bonds3

About 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole

3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole (PubChem CID 58511007) has the molecular formula C48H26F2N2OS and a molecular weight of 716.81 g/mol. Its IUPAC name is 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
PubChem CID58511007
Molecular FormulaC48H26F2N2OS
Molecular Weight716.81 g/mol
Exact Mass716.17
IUPAC Name3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C48H26F2N2OS/c49-29-11-17-45-37(23-29)38-25-31(13-18-46(38)53-45)51-41-7-3-1-5-33(41)35-21-27(9-15-43(35)51)28-10-16-44-36(22-28)34-6-2-4-8-42(34)52(44)32-14-20-48-40(26-32)39-24-30(50)12-19-47(39)54-48/h1-26H
InChIKeyWNMADMCPCQAMHW-UHFFFAOYSA-N
XLogP14.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.81
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole?
The IUPAC name of 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole (CID 58511007) is 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole?
The canonical SMILES for 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole is Fc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2c1.
What is the InChIKey of 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole?
The InChIKey is WNMADMCPCQAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26F2N2OS/c49-29-11-17-45-37(23-29)38-25-31(13-18-46(38)53-45)51-41-7-3-1-5-33(41)35-21-27(9-15-43(35)51)28-10-16-44-36(22-28)34-6-2-4-8-42(34)52(44)32-14-20-48-40(26-32)39-24-30(50)12-19-47(39)54-48/h1-26H.
What are the key properties of 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole?
3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole has a molecular weight of 716.81 g/mol, XLogP of 14.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 58511007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).