11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole

C46H25F3N4O2 — CID 155159936

IUPAC11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=C(C4=C3C5=CC=CC=C5O4)N6C7=CC=CC=C7C8=C6C=C9C1=CC=CC=C1OC9=C8)C(F)(F)F)C1=CC=CC=C1
InChIInChI=1S/C46H25F3N4O2/c47-46(48,49)34-23-33(45-51-43(26-13-3-1-4-14-26)50-44(52-45)27-15-5-2-6-16-27)40-30-19-9-12-22-38(30)55-42(40)41(34)53-35-20-10-7-17-28(35)31-25-39-32(24-36(31)53)29-18-8-11-21-37(29)54-39/h1-25H
InChIKeyNWKGOAZASXUHPV-UHFFFAOYSA-N
MW722.70 g/mol
LogP12.40
Rot. Bonds4

About 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole

11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 155159936) has the molecular formula C46H25F3N4O2 and a molecular weight of 722.70 g/mol. Its IUPAC name is 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID155159936
Molecular FormulaC46H25F3N4O2
Molecular Weight722.70 g/mol
Exact Mass722.19
IUPAC Name11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole
SMILESC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=C(C4=C3C5=CC=CC=C5O4)N6C7=CC=CC=C7C8=C6C=C9C1=CC=CC=C1OC9=C8)C(F)(F)F)C1=CC=CC=C1
InChIInChI=1S/C46H25F3N4O2/c47-46(48,49)34-23-33(45-51-43(26-13-3-1-4-14-26)50-44(52-45)27-15-5-2-6-16-27)40-30-19-9-12-22-38(30)55-42(40)41(34)53-35-20-10-7-17-28(35)31-25-39-32(24-36(31)53)29-18-8-11-21-37(29)54-39/h1-25H
InChIKeyNWKGOAZASXUHPV-UHFFFAOYSA-N
XLogP12.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms55
Complexity1310

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.70
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole (CID 155159936) is 11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole is C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=C(C4=C3C5=CC=CC=C5O4)N6C7=CC=CC=C7C8=C6C=C9C1=CC=CC=C1OC9=C8)C(F)(F)F)C1=CC=CC=C1.
What is the InChIKey of 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NWKGOAZASXUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25F3N4O2/c47-46(48,49)34-23-33(45-51-43(26-13-3-1-4-14-26)50-44(52-45)27-15-5-2-6-16-27)40-30-19-9-12-22-38(30)55-42(40)41(34)53-35-20-10-7-17-28(35)31-25-39-32(24-36(31)53)29-18-8-11-21-37(29)54-39/h1-25H.
What are the key properties of 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole?
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 722.70 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 155159936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).