2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine

C40H31N3O — CID 177112766

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5CC6CCC5C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C40H31N3O/c1-2-7-26(8-3-1)27-15-19-29(20-16-27)38-41-39(30-21-17-28(18-22-30)34-24-25-13-14-31(34)23-25)43-40(42-38)33-10-6-12-36-37(33)32-9-4-5-11-35(32)44-36/h1-12,15-22,25,31,34H,13-14,23-24H2
InChIKeyCUZHACJGOOLZAN-UHFFFAOYSA-N
MW569.71 g/mol
LogP10.34
Rot. Bonds5

About 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine

2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 177112766) has the molecular formula C40H31N3O and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID177112766
Molecular FormulaC40H31N3O
Molecular Weight569.71 g/mol
Exact Mass569.25
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5CC6CCC5C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C40H31N3O/c1-2-7-26(8-3-1)27-15-19-29(20-16-27)38-41-39(30-21-17-28(18-22-30)34-24-25-13-14-31(34)23-25)43-40(42-38)33-10-6-12-36-37(33)32-9-4-5-11-35(32)44-36/h1-12,15-22,25,31,34H,13-14,23-24H2
InChIKeyCUZHACJGOOLZAN-UHFFFAOYSA-N
XLogP10.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112962
2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170209349
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569886
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 177112766) is 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(C5CC6CCC5C6)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CUZHACJGOOLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3O/c1-2-7-26(8-3-1)27-15-19-29(20-16-27)38-41-39(30-21-17-28(18-22-30)34-24-25-13-14-31(34)23-25)43-40(42-38)33-10-6-12-36-37(33)32-9-4-5-11-35(32)44-36/h1-12,15-22,25,31,34H,13-14,23-24H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 569.71 g/mol, XLogP of 10.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177112766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).