9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

C39H20F2N4O2 — CID 121279011

IUPAC9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C39H20F2N4O2/c40-23-11-15-35-29(19-23)27-17-21(9-13-33(27)46-35)37-42-38(22-10-14-34-28(18-22)30-20-24(41)12-16-36(30)47-34)44-39(43-37)45-31-7-3-1-5-25(31)26-6-2-4-8-32(26)45/h1-20H
InChIKeyHJQLBVVZUUPSPP-UHFFFAOYSA-N
MW614.61 g/mol
LogP10.38
Rot. Bonds3

About 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 121279011) has the molecular formula C39H20F2N4O2 and a molecular weight of 614.61 g/mol. Its IUPAC name is 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID121279011
Molecular FormulaC39H20F2N4O2
Molecular Weight614.61 g/mol
Exact Mass614.16
IUPAC Name9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESFc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C39H20F2N4O2/c40-23-11-15-35-29(19-23)27-17-21(9-13-33(27)46-35)37-42-38(22-10-14-34-28(18-22)30-20-24(41)12-16-36(30)47-34)44-39(43-37)45-31-7-3-1-5-25(31)26-6-2-4-8-32(26)45/h1-20H
InChIKeyHJQLBVVZUUPSPP-UHFFFAOYSA-N
XLogP10.38
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.61
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 121279011) is 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is Fc1ccc2oc3ccc(-c4nc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1.
What is the InChIKey of 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is HJQLBVVZUUPSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H20F2N4O2/c40-23-11-15-35-29(19-23)27-17-21(9-13-33(27)46-35)37-42-38(22-10-14-34-28(18-22)30-20-24(41)12-16-36(30)47-34)44-39(43-37)45-31-7-3-1-5-25(31)26-6-2-4-8-32(26)45/h1-20H.
What are the key properties of 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 614.61 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 121279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).