2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

C56H45N3O — CID 169054790

IUPAC2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc5c4oc4ccccc45)n3)cc21
InChIInChI=1S/C56H45N3O/c1-55(2)48-13-7-5-11-43(48)44-22-19-40(29-49(44)55)53-57-52(39-16-15-36-9-3-4-10-38(36)26-39)58-54(59-53)47-28-41(27-46-45-12-6-8-14-50(45)60-51(46)47)37-17-20-42(21-18-37)56-30-33-23-34(31-56)25-35(24-33)32-56/h3-22,26-29,33-35H,23-25,30-32H2,1-2H3
InChIKeyKEHJLTKBTJVUBQ-UHFFFAOYSA-N
MW776.00 g/mol
LogP14.37
Rot. Bonds5

About 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 169054790) has the molecular formula C56H45N3O and a molecular weight of 776.00 g/mol. Its IUPAC name is 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID169054790
Molecular FormulaC56H45N3O
Molecular Weight776.00 g/mol
Exact Mass775.36
IUPAC Name2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc5c4oc4ccccc45)n3)cc21
InChIInChI=1S/C56H45N3O/c1-55(2)48-13-7-5-11-43(48)44-22-19-40(29-49(44)55)53-57-52(39-16-15-36-9-3-4-10-38(36)26-39)58-54(59-53)47-28-41(27-46-45-12-6-8-14-50(45)60-51(46)47)37-17-20-42(21-18-37)56-30-33-23-34(31-56)25-35(24-33)32-56/h3-22,26-29,33-35H,23-25,30-32H2,1-2H3
InChIKeyKEHJLTKBTJVUBQ-UHFFFAOYSA-N
XLogP14.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-adamantyl)naphthalen-1-yl]-4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 169054715
3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170218146
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-[7-[4-(1-adamantyl)phenyl]-9,9-dimethylfluoren-2-yl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 158312050
2-[3-[4-(1-adamantyl)phenyl]-5-pyridin-4-ylphenyl]-4-dibenzofuran-4-yl-6-(2,8-diphenyldibenzofuran-4-yl)-1,3,5-triazine
CID 169054639
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine;bis(2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-4-yl-1,3,5-triazine);2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163592235
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 169055124
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
CID 157340678
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-dibenzothiophen-4-yl-6-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 169054811

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 169054790) is 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cc5c4oc4ccccc45)n3)cc21.
What is the InChIKey of 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is KEHJLTKBTJVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3O/c1-55(2)48-13-7-5-11-43(48)44-22-19-40(29-49(44)55)53-57-52(39-16-15-36-9-3-4-10-38(36)26-39)58-54(59-53)47-28-41(27-46-45-12-6-8-14-50(45)60-51(46)47)37-17-20-42(21-18-37)56-30-33-23-34(31-56)25-35(24-33)32-56/h3-22,26-29,33-35H,23-25,30-32H2,1-2H3.
What are the key properties of 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 776.00 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 169054790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).