1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

C64H37N3O3 — CID 168768576

IUPAC1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c7oc8ccccc8c67)cc5c34)n2)cc1
InChIInChI=1S/C64H37N3O3/c1-3-15-38(16-4-1)52-37-53(40-29-31-45-44-20-8-11-26-55(44)69-59(45)36-40)66-64(65-52)50-24-14-28-58-60(50)51-35-39(30-34-57(51)68-58)42-32-33-48(63-61(42)49-21-9-12-27-56(49)70-63)47-23-13-22-46-43-19-7-10-25-54(43)67(62(46)47)41-17-5-2-6-18-41/h1-37H
InChIKeyFHMICSDZKORQIR-UHFFFAOYSA-N
MW896.02 g/mol
LogP17.61
Rot. Bonds6

About 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole

1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 168768576) has the molecular formula C64H37N3O3 and a molecular weight of 896.02 g/mol. Its IUPAC name is 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
PubChem CID168768576
Molecular FormulaC64H37N3O3
Molecular Weight896.02 g/mol
Exact Mass895.28
IUPAC Name1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c7oc8ccccc8c67)cc5c34)n2)cc1
InChIInChI=1S/C64H37N3O3/c1-3-15-38(16-4-1)52-37-53(40-29-31-45-44-20-8-11-26-55(44)69-59(45)36-40)66-64(65-52)50-24-14-28-58-60(50)51-35-39(30-34-57(51)68-58)42-32-33-48(63-61(42)49-21-9-12-27-56(49)70-63)47-23-13-22-46-43-19-7-10-25-54(43)67(62(46)47)41-17-5-2-6-18-41/h1-37H
InChIKeyFHMICSDZKORQIR-UHFFFAOYSA-N
XLogP17.61
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.02
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenyl-1-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168768785
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 168768540
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014829
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 162187860
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014786
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
7-[4-[4-(8-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 170264425
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734

Frequently Asked Questions

What is the IUPAC name of 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The IUPAC name of 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole (CID 168768576) is 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)c7oc8ccccc8c67)cc5c34)n2)cc1.
What is the InChIKey of 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
The InChIKey is FHMICSDZKORQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O3/c1-3-15-38(16-4-1)52-37-53(40-29-31-45-44-20-8-11-26-55(44)69-59(45)36-40)66-64(65-52)50-24-14-28-58-60(50)51-35-39(30-34-57(51)68-58)42-32-33-48(63-61(42)49-21-9-12-27-56(49)70-63)47-23-13-22-46-43-19-7-10-25-54(43)67(62(46)47)41-17-5-2-6-18-41/h1-37H.
What are the key properties of 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole?
1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 896.02 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).