2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine

C47H36FN3O — CID 169054912

IUPAC2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H36FN3O/c48-34-18-14-32(15-19-34)44-49-45(51-46(50-44)40-9-5-11-42-43(40)39-8-3-4-10-41(39)52-42)38-21-20-35(36-6-1-2-7-37(36)38)31-12-16-33(17-13-31)47-25-28-22-29(26-47)24-30(23-28)27-47/h1-21,28-30H,22-27H2
InChIKeyYUPUHQJBMDNMPV-UHFFFAOYSA-N
MW677.82 g/mol
LogP12.20
Rot. Bonds5

About 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine

2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine (PubChem CID 169054912) has the molecular formula C47H36FN3O and a molecular weight of 677.82 g/mol. Its IUPAC name is 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine
PubChem CID169054912
Molecular FormulaC47H36FN3O
Molecular Weight677.82 g/mol
Exact Mass677.28
IUPAC Name2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H36FN3O/c48-34-18-14-32(15-19-34)44-49-45(51-46(50-44)40-9-5-11-42-43(40)39-8-3-4-10-41(39)52-42)38-21-20-35(36-6-1-2-7-37(36)38)31-12-16-33(17-13-31)47-25-28-22-29(26-47)24-30(23-28)27-47/h1-21,28-30H,22-27H2
InChIKeyYUPUHQJBMDNMPV-UHFFFAOYSA-N
XLogP12.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.82
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112962
2-[4-(1-adamantyl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798019
4-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168808589
4-[4-[4-(1-adamantyl)phenyl]phenyl]-6-dibenzofuran-1-yl-2-dibenzofuran-3-ylpyrimidine
CID 169054834
4-[4-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1-adamantyl]naphthalen-1-yl]benzonitrile
CID 164818542
2-[4-(1-adamantyl)phenyl]-4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 169054853
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169055032
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[4-[4-(1-adamantyl)phenyl]naphthalen-2-yl]-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 168808470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine (CID 169054912) is 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is YUPUHQJBMDNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36FN3O/c48-34-18-14-32(15-19-34)44-49-45(51-46(50-44)40-9-5-11-42-43(40)39-8-3-4-10-41(39)52-42)38-21-20-35(36-6-1-2-7-37(36)38)31-12-16-33(17-13-31)47-25-28-22-29(26-47)24-30(23-28)27-47/h1-21,28-30H,22-27H2.
What are the key properties of 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine?
2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 677.82 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-adamantyl)phenyl]naphthalen-1-yl]-4-dibenzofuran-1-yl-6-(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 169054912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).