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

C45H29FN4O — CID 171597091

IUPAC9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C45H29FN4O/c46-34-23-19-33(20-24-34)44-47-43(32-13-6-2-7-14-32)48-45(49-44)39-17-10-18-40-42(39)38-28-27-37(29-41(38)51-40)50(35-15-8-3-9-16-35)36-25-21-31(22-26-36)30-11-4-1-5-12-30/h1-29H
InChIKeyHUXVLAXUZVELPU-UHFFFAOYSA-N
MW660.75 g/mol
LogP12.05
Rot. Bonds7

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

9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 171597091) has the molecular formula C45H29FN4O and a molecular weight of 660.75 g/mol. Its IUPAC name is 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID171597091
Molecular FormulaC45H29FN4O
Molecular Weight660.75 g/mol
Exact Mass660.23
IUPAC Name9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C45H29FN4O/c46-34-23-19-33(20-24-34)44-47-43(32-13-6-2-7-14-32)48-45(49-44)39-17-10-18-40-42(39)38-28-27-37(29-41(38)51-40)50(35-15-8-3-9-16-35)36-25-21-31(22-26-36)30-11-4-1-5-12-30/h1-29H
InChIKeyHUXVLAXUZVELPU-UHFFFAOYSA-N
XLogP12.05
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.75
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
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
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-isocyanophenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597007
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095870
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 171597091) is 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c34)n2)cc1.
What is the InChIKey of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is HUXVLAXUZVELPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29FN4O/c46-34-23-19-33(20-24-34)44-47-43(32-13-6-2-7-14-32)48-45(49-44)39-17-10-18-40-42(39)38-28-27-37(29-41(38)51-40)50(35-15-8-3-9-16-35)36-25-21-31(22-26-36)30-11-4-1-5-12-30/h1-29H.
What are the key properties of 9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 660.75 g/mol, XLogP of 12.05, 7 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-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 171597091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).