2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 142491098

IUPAC2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-32(14-4-1)45-48-46(33-15-5-2-6-16-33)50-47(49-45)44-36(27-28-42-43(44)39-21-11-12-22-41(39)51-42)30-23-25-31(26-24-30)40-29-34-17-7-8-18-35(34)37-19-9-10-20-38(37)40/h1-29H
InChIKeyFGUIAKGEQYRSLT-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142491098) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142491098
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-13-32(14-4-1)45-48-46(33-15-5-2-6-16-33)50-47(49-45)44-36(27-28-42-43(44)39-21-11-12-22-41(39)51-42)30-23-25-31(26-24-30)40-29-34-17-7-8-18-35(34)37-19-9-10-20-38(37)40/h1-29H
InChIKeyFGUIAKGEQYRSLT-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-naphthalen-2-yl-4-(1-phenanthren-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 176616811
2-[1-(4-phenanthren-9-ylphenyl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491327
2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 142491098) is 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)ccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FGUIAKGEQYRSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-13-32(14-4-1)45-48-46(33-15-5-2-6-16-33)50-47(49-45)44-36(27-28-42-43(44)39-21-11-12-22-41(39)51-42)30-23-25-31(26-24-30)40-29-34-17-7-8-18-35(34)37-19-9-10-20-38(37)40/h1-29H.
What are the key properties of 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142491098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).