11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

C57H33N5O2 — CID 126629005

IUPAC11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc6c5oc5ccccc56)cc34)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-41-45-31-36(29-30-52(45)63-53(41)42)61-46-25-10-7-19-37(46)43-33-50-44(32-49(43)61)38-20-8-11-26-47(38)62(50)48-27-14-23-40-39-21-9-12-28-51(39)64-54(40)48/h1-33H
InChIKeyMIIGEZKDCNUEQG-UHFFFAOYSA-N
MW819.92 g/mol
LogP14.87
Rot. Bonds5

About 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (PubChem CID 126629005) has the molecular formula C57H33N5O2 and a molecular weight of 819.92 g/mol. Its IUPAC name is 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
PubChem CID126629005
Molecular FormulaC57H33N5O2
Molecular Weight819.92 g/mol
Exact Mass819.26
IUPAC Name11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc6c5oc5ccccc56)cc34)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-41-45-31-36(29-30-52(45)63-53(41)42)61-46-25-10-7-19-37(46)43-33-50-44(32-49(43)61)38-20-8-11-26-47(38)62(50)48-27-14-23-40-39-21-9-12-28-51(39)64-54(40)48/h1-33H
InChIKeyMIIGEZKDCNUEQG-UHFFFAOYSA-N
XLogP14.87
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.92
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(8-carbazol-9-yldibenzofuran-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157053700
9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 157209858
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163452922
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (CID 126629005) is 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5cccc6c5oc5ccccc56)cc34)n2)cc1.
What is the InChIKey of 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?
The InChIKey is MIIGEZKDCNUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2/c1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)42-24-13-22-41-45-31-36(29-30-52(45)63-53(41)42)61-46-25-10-7-19-37(46)43-33-50-44(32-49(43)61)38-20-8-11-26-47(38)62(50)48-27-14-23-40-39-21-9-12-28-51(39)64-54(40)48/h1-33H.
What are the key properties of 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?
11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole has a molecular weight of 819.92 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-4-yl-5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 126629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).