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

C57H36N4O — CID 163950342

IUPAC7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4c(-c5nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n5)cccc46)c3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(34-44)61-51-25-11-10-22-46(51)49-35-50-47-23-13-24-48(54(47)62-53(50)36-52(49)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H
InChIKeyYCKXJRBLGYWGIR-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

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

7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 163950342) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID163950342
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4c(-c5nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n5)cccc46)c3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(34-44)61-51-25-11-10-22-46(51)49-35-50-47-23-13-24-48(54(47)62-53(50)36-52(49)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H
InChIKeyYCKXJRBLGYWGIR-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

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Related Compounds

7-(3-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950340
4-[4,6-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
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163452922
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-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163508167
4-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 147858176
4-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163887704

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 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) is 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4c(-c5nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n5)cccc46)c3)cc2)cc1.
What is the InChIKey of 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is YCKXJRBLGYWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-14-37(15-5-1)39-26-28-41(29-27-39)44-20-12-21-45(34-44)61-51-25-11-10-22-46(51)49-35-50-47-23-13-24-48(54(47)62-53(50)36-52(49)61)57-59-55(42-18-8-3-9-19-42)58-56(60-57)43-32-30-40(31-33-43)38-16-6-2-7-17-38/h1-36H.
What are the key properties of 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-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 7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163950342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).