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

C48H26F2N2O2 — CID 58511053

IUPAC9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccc(F)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C48H26F2N2O2/c49-29-11-17-45-37(23-29)39-25-31(13-19-47(39)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)38-24-30(50)12-18-46(38)54-48/h1-26H
InChIKeySYYUGBHYGCUAEU-UHFFFAOYSA-N
MW700.74 g/mol
LogP13.62
Rot. Bonds3

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

9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole (PubChem CID 58511053) has the molecular formula C48H26F2N2O2 and a molecular weight of 700.74 g/mol. Its IUPAC name is 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
PubChem CID58511053
Molecular FormulaC48H26F2N2O2
Molecular Weight700.74 g/mol
Exact Mass700.20
IUPAC Name9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
SMILESFc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccc(F)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C48H26F2N2O2/c49-29-11-17-45-37(23-29)39-25-31(13-19-47(39)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)38-24-30(50)12-18-46(38)54-48/h1-26H
InChIKeySYYUGBHYGCUAEU-UHFFFAOYSA-N
XLogP13.62
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.74
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole (CID 58511053) is 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole is Fc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccc(F)cc8c7c6)ccc54)cc3c2c1.
What is the InChIKey of 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole?
The InChIKey is SYYUGBHYGCUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26F2N2O2/c49-29-11-17-45-37(23-29)39-25-31(13-19-47(39)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)38-24-30(50)12-18-46(38)54-48/h1-26H.
What are the key properties of 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole?
9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole has a molecular weight of 700.74 g/mol, XLogP of 13.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 58511053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).