4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole

C57H36N4O — CID 163452922

IUPAC4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4cc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6cc45)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-13-37(14-5-1)40-23-27-43(28-24-40)55-58-56(44-29-25-41(26-30-44)38-15-6-2-7-16-38)60-57(59-55)48-21-12-20-47-50-35-52-49(36-53(50)62-54(47)48)46-19-10-11-22-51(46)61(52)45-33-31-42(32-34-45)39-17-8-3-9-18-39/h1-36H
InChIKeyZETCCBUJUSUHDC-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 163452922) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
PubChem CID163452922
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4cc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6cc45)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-13-37(14-5-1)40-23-27-43(28-24-40)55-58-56(44-29-25-41(26-30-44)38-15-6-2-7-16-38)60-57(59-55)48-21-12-20-47-50-35-52-49(36-53(50)62-54(47)48)46-19-10-11-22-51(46)61(52)45-33-31-42(32-34-45)39-17-8-3-9-18-39/h1-36H
InChIKeyZETCCBUJUSUHDC-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[4-(3-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163678830
4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163508167
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
4-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153459837
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
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
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
7-(3-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950340
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
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
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole (CID 163452922) is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4cc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6cc45)n3)cc2)cc1.
What is the InChIKey of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is ZETCCBUJUSUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-13-37(14-5-1)40-23-27-43(28-24-40)55-58-56(44-29-25-41(26-30-44)38-15-6-2-7-16-38)60-57(59-55)48-21-12-20-47-50-35-52-49(36-53(50)62-54(47)48)46-19-10-11-22-51(46)61(52)45-33-31-42(32-34-45)39-17-8-3-9-18-39/h1-36H.
What are the key properties of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163452922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).