4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine

C56H36N4O — CID 164808287

IUPAC4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7c(-c8ccc(-c9ccccc9)cc8)ccnc7c56)n4)c3)cc2)cc1
InChIInChI=1S/C56H36N4O/c1-4-12-37(13-5-1)40-22-24-43(25-23-40)46-18-10-19-47(36-46)55-58-54(45-32-28-42(29-33-45)39-16-8-3-9-17-39)59-56(60-55)49-20-11-21-50-51(49)52-53(61-50)48(34-35-57-52)44-30-26-41(27-31-44)38-14-6-2-7-15-38/h1-36H
InChIKeyHNCJZDXTLNNSFJ-UHFFFAOYSA-N
MW780.93 g/mol
LogP14.50
Rot. Bonds8

About 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine

4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 164808287) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID164808287
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC Name4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7c(-c8ccc(-c9ccccc9)cc8)ccnc7c56)n4)c3)cc2)cc1
InChIInChI=1S/C56H36N4O/c1-4-12-37(13-5-1)40-22-24-43(25-23-40)46-18-10-19-47(36-46)55-58-54(45-32-28-42(29-33-45)39-16-8-3-9-17-39)59-56(60-55)49-20-11-21-50-51(49)52-53(61-50)48(34-35-57-52)44-30-26-41(27-31-44)38-14-6-2-7-15-38/h1-36H
InChIKeyHNCJZDXTLNNSFJ-UHFFFAOYSA-N
XLogP14.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168785404
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168784933
2-phenyl-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741510
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine (CID 164808287) is 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6oc7c(-c8ccc(-c9ccccc9)cc8)ccnc7c56)n4)c3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is HNCJZDXTLNNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-4-12-37(13-5-1)40-22-24-43(25-23-40)46-18-10-19-47(36-46)55-58-54(45-32-28-42(29-33-45)39-16-8-3-9-17-39)59-56(60-55)49-20-11-21-50-51(49)52-53(61-50)48(34-35-57-52)44-30-26-41(27-31-44)38-14-6-2-7-15-38/h1-36H.
What are the key properties of 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine?
4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 780.93 g/mol, XLogP of 14.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-9-[4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 164808287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).