2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C59H37N3O — CID 168845157

IUPAC2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2-c2ccccc2)cc1
InChIInChI=1S/C59H37N3O/c1-3-15-40(16-4-1)49-23-12-25-52(55(49)41-17-5-2-6-18-41)58-60-57(61-59(62-58)53-26-13-24-51-50-22-9-10-27-54(50)63-56(51)53)47-21-11-20-43(35-47)45-32-29-39-30-33-46(37-48(39)36-45)44-31-28-38-14-7-8-19-42(38)34-44/h1-37H
InChIKeyOYGNJIWKUIETAN-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.75
Rot. Bonds7

About 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845157) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845157
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2-c2ccccc2)cc1
InChIInChI=1S/C59H37N3O/c1-3-15-40(16-4-1)49-23-12-25-52(55(49)41-17-5-2-6-18-41)58-60-57(61-59(62-58)53-26-13-24-51-50-22-9-10-27-54(50)63-56(51)53)47-21-11-20-43(35-47)45-32-29-39-30-33-46(37-48(39)36-45)44-31-28-38-14-7-8-19-42(38)34-44/h1-37H
InChIKeyOYGNJIWKUIETAN-UHFFFAOYSA-N
XLogP15.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155764013

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845157) is 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc6ccc(-c7ccc8ccccc8c7)cc6c5)c4)nc(-c4cccc5c4oc4ccccc45)n3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is OYGNJIWKUIETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-3-15-40(16-4-1)49-23-12-25-52(55(49)41-17-5-2-6-18-41)58-60-57(61-59(62-58)53-26-13-24-51-50-22-9-10-27-54(50)63-56(51)53)47-21-11-20-43(35-47)45-32-29-39-30-33-46(37-48(39)36-45)44-31-28-38-14-7-8-19-42(38)34-44/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 803.97 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).