3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine

C57H35N5O2 — CID 134475762

IUPAC3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8cccc9c8oc8ccccc89)c7c6)c5)ccc43)n2)cc1
InChIInChI=1S/C57H35N5O2/c1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)62-47-25-10-12-28-52(47)63-53-35-41(30-32-48(53)62)39-20-13-19-38(33-39)40-29-31-43-42-21-7-9-24-46(42)61(50(43)34-40)49-26-14-23-45-44-22-8-11-27-51(44)64-54(45)49/h1-35H
InChIKeyPYDPIOMJLYUFPD-UHFFFAOYSA-N
MW821.94 g/mol
LogP15.11
Rot. Bonds6

About 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine

3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (PubChem CID 134475762) has the molecular formula C57H35N5O2 and a molecular weight of 821.94 g/mol. Its IUPAC name is 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.

Molecular Properties

Compound Name3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
PubChem CID134475762
Molecular FormulaC57H35N5O2
Molecular Weight821.94 g/mol
Exact Mass821.28
IUPAC Name3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8cccc9c8oc8ccccc89)c7c6)c5)ccc43)n2)cc1
InChIInChI=1S/C57H35N5O2/c1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)62-47-25-10-12-28-52(47)63-53-35-41(30-32-48(53)62)39-20-13-19-38(33-39)40-29-31-43-42-21-7-9-24-46(42)61(50(43)34-40)49-26-14-23-45-44-22-8-11-27-51(44)64-54(45)49/h1-35H
InChIKeyPYDPIOMJLYUFPD-UHFFFAOYSA-N
XLogP15.11
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.94
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 170371029
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-4-yl]carbazole
CID 169011254
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;methane
CID 157099619
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The IUPAC name of 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (CID 134475762) is 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.
What is the SMILES notation for 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The canonical SMILES for 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8cccc9c8oc8ccccc89)c7c6)c5)ccc43)n2)cc1.
What is the InChIKey of 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The InChIKey is PYDPIOMJLYUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O2/c1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)62-47-25-10-12-28-52(47)63-53-35-41(30-32-48(53)62)39-20-13-19-38(33-39)40-29-31-43-42-21-7-9-24-46(42)61(50(43)34-40)49-26-14-23-45-44-22-8-11-27-51(44)64-54(45)49/h1-35H.
What are the key properties of 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine has a molecular weight of 821.94 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9-dibenzofuran-4-ylcarbazol-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is sourced from PubChem (CID 134475762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).