7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole

C46H25F3N4O2 — CID 155158575

IUPAC7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C46H25F3N4O2/c47-46(48,49)34-24-33(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)31-23-32-29-18-8-11-21-37(29)54-39(32)25-36(31)53/h1-25H
InChIKeyPADHHQOOZYGZON-UHFFFAOYSA-N
MW722.73 g/mol
LogP12.79
Rot. Bonds4

About 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole

7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 155158575) has the molecular formula C46H25F3N4O2 and a molecular weight of 722.73 g/mol. Its IUPAC name is 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID155158575
Molecular FormulaC46H25F3N4O2
Molecular Weight722.73 g/mol
Exact Mass722.19
IUPAC Name7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C46H25F3N4O2/c47-46(48,49)34-24-33(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)31-23-32-29-18-8-11-21-37(29)54-39(32)25-36(31)53/h1-25H
InChIKeyPADHHQOOZYGZON-UHFFFAOYSA-N
XLogP12.79
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.73
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole (CID 155158575) is 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is PADHHQOOZYGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25F3N4O2/c47-46(48,49)34-24-33(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)31-23-32-29-18-8-11-21-37(29)54-39(32)25-36(31)53/h1-25H.
What are the key properties of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole?
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 722.73 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 155158575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).