11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole

C52H32N4O — CID 118595440

IUPAC11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)42-31-30-41-38-18-7-10-23-46(38)55(49(41)50(42)56)36-28-26-33(27-29-36)37-21-13-22-43-40-20-9-12-25-48(40)57-51(37)43/h1-32H
InChIKeyFTTXGYBNCVYOEO-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole

11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole (PubChem CID 118595440) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
PubChem CID118595440
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c43)n2)cc1
InChIInChI=1S/C52H32N4O/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)42-31-30-41-38-18-7-10-23-46(38)55(49(41)50(42)56)36-28-26-33(27-29-36)37-21-13-22-43-40-20-9-12-25-48(40)57-51(37)43/h1-32H
InChIKeyFTTXGYBNCVYOEO-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-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158764250

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole (CID 118595440) is 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c43)n2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is FTTXGYBNCVYOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-3-14-34(15-4-1)44-32-45(35-16-5-2-6-17-35)54-52(53-44)56-47-24-11-8-19-39(47)42-31-30-41-38-18-7-10-23-46(38)55(49(41)50(42)56)36-28-26-33(27-29-36)37-21-13-22-43-40-20-9-12-25-48(40)57-51(37)43/h1-32H.
What are the key properties of 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole?
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[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 11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 118595440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).