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

C90H52N8O4 — CID 163646511

IUPAC4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(32-20-12-24-39-41(32)31-18-8-10-23-38(31)50-39)48-45(47-43)33-21-11-19-30-35-25-37-34(26-40(35)51-42(30)33)29-17-7-9-22-36(29)49(37)28-15-5-2-6-16-28;1-3-12-27(13-4-1)43-46-44(28-22-23-32-31-17-8-10-21-39(31)50-40(32)24-28)48-45(47-43)34-19-11-18-33-36-25-38-35(26-41(36)51-42(33)34)30-16-7-9-20-37(30)49(38)29-14-5-2-6-15-29/h2*1-26H
InChIKeyIIQWHTSGVKINLG-UHFFFAOYSA-N
MW1309.46 g/mol
LogP23.54
Rot. Bonds8

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

4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163646511) has the molecular formula C90H52N8O4 and a molecular weight of 1309.46 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163646511
Molecular FormulaC90H52N8O4
Molecular Weight1309.46 g/mol
Exact Mass1308.41
IUPAC Name4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(32-20-12-24-39-41(32)31-18-8-10-23-38(31)50-39)48-45(47-43)33-21-11-19-30-35-25-37-34(26-40(35)51-42(30)33)29-17-7-9-22-36(29)49(37)28-15-5-2-6-16-28;1-3-12-27(13-4-1)43-46-44(28-22-23-32-31-17-8-10-21-39(31)50-40(32)24-28)48-45(47-43)34-19-11-18-33-36-25-38-35(26-41(36)51-42(33)34)30-16-7-9-20-37(30)49(38)29-14-5-2-6-15-29/h2*1-26H
InChIKeyIIQWHTSGVKINLG-UHFFFAOYSA-N
XLogP23.54
TPSA139.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.46
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163646511) is 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cc5c6ccccc6n(-c6ccccc6)c5cc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is IIQWHTSGVKINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(32-20-12-24-39-41(32)31-18-8-10-23-38(31)50-39)48-45(47-43)33-21-11-19-30-35-25-37-34(26-40(35)51-42(30)33)29-17-7-9-22-36(29)49(37)28-15-5-2-6-16-28;1-3-12-27(13-4-1)43-46-44(28-22-23-32-31-17-8-10-21-39(31)50-40(32)24-28)48-45(47-43)34-19-11-18-33-36-25-38-35(26-41(36)51-42(33)34)30-16-7-9-20-37(30)49(38)29-14-5-2-6-15-29/h2*1-26H.
What are the key properties of 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1309.46 g/mol, XLogP of 23.54, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163646511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).