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

C51H30N4O2 — CID 163556848

IUPAC2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(54-51(53-49)35-22-24-39-38-19-8-10-21-45(38)56-47(39)28-35)34-23-25-46-41(27-34)42-29-44-40(30-48(42)57-46)37-18-7-9-20-43(37)55(44)36-16-5-2-6-17-36/h1-30H
InChIKeyXDTFPDFDDQXGEX-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163556848) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163556848
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(54-51(53-49)35-22-24-39-38-19-8-10-21-45(38)56-47(39)28-35)34-23-25-46-41(27-34)42-29-44-40(30-48(42)57-46)37-18-7-9-20-43(37)55(44)36-16-5-2-6-17-36/h1-30H
InChIKeyXDTFPDFDDQXGEX-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 134168976
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171596946
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163416723
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501

Frequently Asked Questions

What is the IUPAC name of 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163556848) is 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c5c4)n3)c2)cc1.
What is the InChIKey of 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is XDTFPDFDDQXGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)32-14-11-15-33(26-32)49-52-50(54-51(53-49)35-22-24-39-38-19-8-10-21-45(38)56-47(39)28-35)34-23-25-46-41(27-34)42-29-44-40(30-48(42)57-46)37-18-7-9-20-43(37)55(44)36-16-5-2-6-17-36/h1-30H.
What are the key properties of 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163556848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).