12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C52H32N4O — CID 169014829

IUPAC12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-3-15-33(16-4-1)43-32-44(34-27-28-39-38-21-10-14-26-48(38)57-49(39)31-34)54-52(53-43)42-22-9-13-25-47(42)56-46-24-12-8-20-37(46)41-30-29-40-36-19-7-11-23-45(36)55(50(40)51(41)56)35-17-5-2-6-18-35/h1-32H
InChIKeyNDJLBAFPGLCQSE-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 169014829) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID169014829
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-3-15-33(16-4-1)43-32-44(34-27-28-39-38-21-10-14-26-48(38)57-49(39)31-34)54-52(53-43)42-22-9-13-25-47(42)56-46-24-12-8-20-37(46)41-30-29-40-36-19-7-11-23-45(36)55(50(40)51(41)56)35-17-5-2-6-18-35/h1-32H
InChIKeyNDJLBAFPGLCQSE-UHFFFAOYSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014581
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014786
12-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 166874957
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole;12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 159993428
12'-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014390
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 168768540
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
12-dibenzofuran-4-yl-11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385260
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
1-[1-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168768576
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 169014829) is 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is NDJLBAFPGLCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-3-15-33(16-4-1)43-32-44(34-27-28-39-38-21-10-14-26-48(38)57-49(39)31-34)54-52(53-43)42-22-9-13-25-47(42)56-46-24-12-8-20-37(46)41-30-29-40-36-19-7-11-23-45(36)55(50(40)51(41)56)35-17-5-2-6-18-35/h1-32H.
What are the key properties of 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 728.86 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 169014829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).