5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole

C24H16F2N4 — CID 67472086

IUPAC5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(F)nc(F)n1
InChIInChI=1S/C24H16F2N4/c1-24(2)17-9-5-3-7-13(17)15-12-20-16(11-18(15)24)14-8-4-6-10-19(14)30(20)23-28-21(25)27-22(26)29-23/h3-12H,1-2H3
InChIKeyGXAJGTVQRUMRAJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.55
Rot. Bonds1

About 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole

5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 67472086) has the molecular formula C24H16F2N4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID67472086
Molecular FormulaC24H16F2N4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(F)nc(F)n1
InChIInChI=1S/C24H16F2N4/c1-24(2)17-9-5-3-7-13(17)15-12-20-16(11-18(15)24)14-8-4-6-10-19(14)30(20)23-28-21(25)27-22(26)29-23/h3-12H,1-2H3
InChIKeyGXAJGTVQRUMRAJ-UHFFFAOYSA-N
XLogP5.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole (CID 67472086) is 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(F)nc(F)n1.
What is the InChIKey of 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is GXAJGTVQRUMRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4/c1-24(2)17-9-5-3-7-13(17)15-12-20-16(11-18(15)24)14-8-4-6-10-19(14)30(20)23-28-21(25)27-22(26)29-23/h3-12H,1-2H3.
What are the key properties of 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole?
5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 398.42 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-difluoro-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 67472086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).