11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole

C36H24F2N4 — CID 67472164

IUPAC11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5F)nc(-c5ccccc5F)n4)c3c21
InChIInChI=1S/C36H24F2N4/c1-36(2)27-15-7-3-11-21(27)23-19-20-24-22-12-6-10-18-30(22)42(32(24)31(23)36)35-40-33(25-13-4-8-16-28(25)37)39-34(41-35)26-14-5-9-17-29(26)38/h3-20H,1-2H3
InChIKeyIUPVULVITIIZEH-UHFFFAOYSA-N
MW550.61 g/mol
LogP8.89
Rot. Bonds3

About 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole

11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 67472164) has the molecular formula C36H24F2N4 and a molecular weight of 550.61 g/mol. Its IUPAC name is 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID67472164
Molecular FormulaC36H24F2N4
Molecular Weight550.61 g/mol
Exact Mass550.20
IUPAC Name11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5F)nc(-c5ccccc5F)n4)c3c21
InChIInChI=1S/C36H24F2N4/c1-36(2)27-15-7-3-11-21(27)23-19-20-24-22-12-6-10-18-30(22)42(32(24)31(23)36)35-40-33(25-13-4-8-16-28(25)37)39-34(41-35)26-14-5-9-17-29(26)38/h3-20H,1-2H3
InChIKeyIUPVULVITIIZEH-UHFFFAOYSA-N
XLogP8.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole (CID 67472164) is 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5F)nc(-c5ccccc5F)n4)c3c21.
What is the InChIKey of 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is IUPVULVITIIZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F2N4/c1-36(2)27-15-7-3-11-21(27)23-19-20-24-22-12-6-10-18-30(22)42(32(24)31(23)36)35-40-33(25-13-4-8-16-28(25)37)39-34(41-35)26-14-5-9-17-29(26)38/h3-20H,1-2H3.
What are the key properties of 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole?
11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 550.61 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4,6-bis(2-fluorophenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 67472164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).