9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C51H32N4O — CID 118149426

IUPAC9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)38-20-11-18-35(30-38)36-28-29-45-43(32-36)41-22-7-9-25-44(41)55(45)39-21-12-19-37(31-39)40-24-13-27-47-48(40)42-23-8-10-26-46(42)56-47/h1-32H
InChIKeyMHUPJBNQVGOJDW-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 118149426) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID118149426
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)38-20-11-18-35(30-38)36-28-29-45-43(32-36)41-22-7-9-25-44(41)55(45)39-21-12-19-37(31-39)40-24-13-27-47-48(40)42-23-8-10-26-46(42)56-47/h1-32H
InChIKeyMHUPJBNQVGOJDW-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 159951134
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
[4-[4-(3-carbazol-9-ylphenyl)-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722269
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 118149426) is 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1.
What is the InChIKey of 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is MHUPJBNQVGOJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)38-20-11-18-35(30-38)36-28-29-45-43(32-36)41-22-7-9-25-44(41)55(45)39-21-12-19-37(31-39)40-24-13-27-47-48(40)42-23-8-10-26-46(42)56-47/h1-32H.
What are the key properties of 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118149426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).