1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole

C57H34N4O2 — CID 170192632

IUPAC1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3cc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc34)n2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(37-27-30-44-43-21-10-12-25-50(43)62-52(44)33-37)60-57(59-55)38-28-31-46-45-29-26-36(32-51(45)63-53(46)34-38)40-18-7-8-19-41(40)47-22-13-23-48-42-20-9-11-24-49(42)61(54(47)48)39-16-5-2-6-17-39/h1-34H
InChIKeyKOKVQMXABVYJOY-UHFFFAOYSA-N
MW806.92 g/mol
LogP15.10
Rot. Bonds6

About 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole

1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole (PubChem CID 170192632) has the molecular formula C57H34N4O2 and a molecular weight of 806.92 g/mol. Its IUPAC name is 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
PubChem CID170192632
Molecular FormulaC57H34N4O2
Molecular Weight806.92 g/mol
Exact Mass806.27
IUPAC Name1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3cc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc34)n2)cc1
InChIInChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(37-27-30-44-43-21-10-12-25-50(43)62-52(44)33-37)60-57(59-55)38-28-31-46-45-29-26-36(32-51(45)63-53(46)34-38)40-18-7-8-19-41(40)47-22-13-23-48-42-20-9-11-24-49(42)61(54(47)48)39-16-5-2-6-17-39/h1-34H
InChIKeyKOKVQMXABVYJOY-UHFFFAOYSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.92
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole (CID 170192632) is 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)oc3cc(-c5ccccc5-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc34)n2)cc1.
What is the InChIKey of 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole?
The InChIKey is KOKVQMXABVYJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-14-35(15-4-1)55-58-56(37-27-30-44-43-21-10-12-25-50(43)62-52(44)33-37)60-57(59-55)38-28-31-46-45-29-26-36(32-51(45)63-53(46)34-38)40-18-7-8-19-41(40)47-22-13-23-48-42-20-9-11-24-49(42)61(54(47)48)39-16-5-2-6-17-39/h1-34H.
What are the key properties of 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole?
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole has a molecular weight of 806.92 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 170192632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).