9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

C45H26F2N4O — CID 118507898

IUPAC9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILESFc1cc(F)cc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)c1
InChIInChI=1S/C45H26F2N4O/c46-31-24-32(47)26-33(25-31)51-38-16-8-7-14-34(38)36-22-29(18-20-39(36)51)30-19-21-40-37(23-30)42-35(15-9-17-41(42)52-40)45-49-43(27-10-3-1-4-11-27)48-44(50-45)28-12-5-2-6-13-28/h1-26H
InChIKeyQUVGIROXJZJYLV-UHFFFAOYSA-N
MW676.73 g/mol
LogP11.81
Rot. Bonds5

About 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (PubChem CID 118507898) has the molecular formula C45H26F2N4O and a molecular weight of 676.73 g/mol. Its IUPAC name is 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
PubChem CID118507898
Molecular FormulaC45H26F2N4O
Molecular Weight676.73 g/mol
Exact Mass676.21
IUPAC Name9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILESFc1cc(F)cc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)c1
InChIInChI=1S/C45H26F2N4O/c46-31-24-32(47)26-33(25-31)51-38-16-8-7-14-34(38)36-22-29(18-20-39(36)51)30-19-21-40-37(23-30)42-35(15-9-17-41(42)52-40)45-49-43(27-10-3-1-4-11-27)48-44(50-45)28-12-5-2-6-13-28/h1-26H
InChIKeyQUVGIROXJZJYLV-UHFFFAOYSA-N
XLogP11.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.73
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (CID 118507898) is 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is Fc1cc(F)cc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)ccc32)c1.
What is the InChIKey of 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is QUVGIROXJZJYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26F2N4O/c46-31-24-32(47)26-33(25-31)51-38-16-8-7-14-34(38)36-22-29(18-20-39(36)51)30-19-21-40-37(23-30)42-35(15-9-17-41(42)52-40)45-49-43(27-10-3-1-4-11-27)48-44(50-45)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 676.73 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 118507898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).