5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

C57H33N5O2 — CID 162362950

IUPAC5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7cccc8c7oc7ccccc78)n6)c5)c4cc32)cc1
InChIInChI=1S/C57H33N5O2/c1-2-15-36(16-3-1)61-47-24-8-4-18-38(47)45-32-46-39-19-5-9-25-48(39)62(50(46)33-49(45)61)37-17-12-14-34(30-37)55-58-56(35-28-29-42-40-20-6-10-26-51(40)63-53(42)31-35)60-57(59-55)44-23-13-22-43-41-21-7-11-27-52(41)64-54(43)44/h1-33H
InChIKeyDCAAQAPHNOLUDP-UHFFFAOYSA-N
MW819.92 g/mol
LogP14.87
Rot. Bonds5

About 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 162362950) has the molecular formula C57H33N5O2 and a molecular weight of 819.92 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID162362950
Molecular FormulaC57H33N5O2
Molecular Weight819.92 g/mol
Exact Mass819.26
IUPAC Name5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7cccc8c7oc7ccccc78)n6)c5)c4cc32)cc1
InChIInChI=1S/C57H33N5O2/c1-2-15-36(16-3-1)61-47-24-8-4-18-38(47)45-32-46-39-19-5-9-25-48(39)62(50(46)33-49(45)61)37-17-12-14-34(30-37)55-58-56(35-28-29-42-40-20-6-10-26-51(40)63-53(42)31-35)60-57(59-55)44-23-13-22-43-41-21-7-11-27-52(41)64-54(43)44/h1-33H
InChIKeyDCAAQAPHNOLUDP-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

5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014557
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;7-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163529278
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950342

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 162362950) is 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7cccc8c7oc7ccccc78)n6)c5)c4cc32)cc1.
What is the InChIKey of 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is DCAAQAPHNOLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2/c1-2-15-36(16-3-1)61-47-24-8-4-18-38(47)45-32-46-39-19-5-9-25-48(39)62(50(46)33-49(45)61)37-17-12-14-34(30-37)55-58-56(35-28-29-42-40-20-6-10-26-51(40)63-53(42)31-35)60-57(59-55)44-23-13-22-43-41-21-7-11-27-52(41)64-54(43)44/h1-33H.
What are the key properties of 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-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 5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 162362950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).