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

C57H34N4O2 — CID 155201239

IUPAC6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2cccc3c4cc(-c5ccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C57H34N4O2/c1-3-12-36(13-4-1)42-18-11-19-47-48-32-38(28-31-49(48)61(54(42)47)41-14-5-2-6-15-41)35-22-24-37(25-23-35)55-58-56(39-26-29-45-43-16-7-9-20-50(43)62-52(45)33-39)60-57(59-55)40-27-30-46-44-17-8-10-21-51(44)63-53(46)34-40/h1-34H
InChIKeyVIVHPFDXOBDRQQ-UHFFFAOYSA-N
MW806.92 g/mol
LogP15.10
Rot. Bonds6

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

6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole (PubChem CID 155201239) has the molecular formula C57H34N4O2 and a molecular weight of 806.92 g/mol. Its IUPAC name is 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole.

Molecular Properties

Compound Name6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
PubChem CID155201239
Molecular FormulaC57H34N4O2
Molecular Weight806.92 g/mol
Exact Mass806.27
IUPAC Name6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2cccc3c4cc(-c5ccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C57H34N4O2/c1-3-12-36(13-4-1)42-18-11-19-47-48-32-38(28-31-49(48)61(54(42)47)41-14-5-2-6-15-41)35-22-24-37(25-23-35)55-58-56(39-26-29-45-43-16-7-9-20-50(43)62-52(45)33-39)60-57(59-55)40-27-30-46-44-17-8-10-21-51(44)63-53(46)34-40/h1-34H
InChIKeyVIVHPFDXOBDRQQ-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

Analyze 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole with MolForge

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Related Compounds

6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 159616127
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201210
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
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
3-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768312
1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 157292587
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
CID 156549397
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole?
The IUPAC name of 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole (CID 155201239) is 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole.
What is the SMILES notation for 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole?
The canonical SMILES for 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole is c1ccc(-c2cccc3c4cc(-c5ccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)ccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole?
The InChIKey is VIVHPFDXOBDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-12-36(13-4-1)42-18-11-19-47-48-32-38(28-31-49(48)61(54(42)47)41-14-5-2-6-15-41)35-22-24-37(25-23-35)55-58-56(39-26-29-45-43-16-7-9-20-50(43)62-52(45)33-39)60-57(59-55)40-27-30-46-44-17-8-10-21-51(44)63-53(46)34-40/h1-34H.
What are the key properties of 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole?
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole 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 6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole is sourced from PubChem (CID 155201239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).