9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine

C58H35FN4O — CID 176818367

IUPAC9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c34)n2)cc1
InChIInChI=1S/C58H35FN4O/c59-38-31-29-37(30-32-38)56-60-55(36-15-3-1-4-16-36)61-57(62-56)46-23-14-28-51-53(46)45-34-33-40(35-52(45)64-51)63(39-17-5-2-6-18-39)50-27-13-22-44-43-21-9-12-26-49(43)58(54(44)50)47-24-10-7-19-41(47)42-20-8-11-25-48(42)58/h1-35H
InChIKeyMLKNSDLWHUCGRQ-UHFFFAOYSA-N
MW822.94 g/mol
LogP14.72
Rot. Bonds6

About 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine

9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine (PubChem CID 176818367) has the molecular formula C58H35FN4O and a molecular weight of 822.94 g/mol. Its IUPAC name is 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine
PubChem CID176818367
Molecular FormulaC58H35FN4O
Molecular Weight822.94 g/mol
Exact Mass822.28
IUPAC Name9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c34)n2)cc1
InChIInChI=1S/C58H35FN4O/c59-38-31-29-37(30-32-38)56-60-55(36-15-3-1-4-16-36)61-57(62-56)46-23-14-28-51-53(46)45-34-33-40(35-52(45)64-51)63(39-17-5-2-6-18-39)50-27-13-22-44-43-21-9-12-26-49(43)58(54(44)50)47-24-10-7-19-41(47)42-20-8-11-25-48(42)58/h1-35H
InChIKeyMLKNSDLWHUCGRQ-UHFFFAOYSA-N
XLogP14.72
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.94
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,9-diphenylfluoren-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176818069
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 118699638
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170095547
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine?
The IUPAC name of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine (CID 176818367) is 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine.
What is the SMILES notation for 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine?
The canonical SMILES for 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc5c34)n2)cc1.
What is the InChIKey of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine?
The InChIKey is MLKNSDLWHUCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35FN4O/c59-38-31-29-37(30-32-38)56-60-55(36-15-3-1-4-16-36)61-57(62-56)46-23-14-28-51-53(46)45-34-33-40(35-52(45)64-51)63(39-17-5-2-6-18-39)50-27-13-22-44-43-21-9-12-26-49(43)58(54(44)50)47-24-10-7-19-41(47)42-20-8-11-25-48(42)58/h1-35H.
What are the key properties of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine?
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine has a molecular weight of 822.94 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-amine is sourced from PubChem (CID 176818367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).