2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C37H22FN3 — CID 121287208

IUPAC2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESFc1ccc2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c3ccccc3c2c1
InChIInChI=1S/C37H22FN3/c38-28-17-19-32-31-18-16-27(21-33(31)29-12-6-7-13-30(29)34(32)22-28)37-40-35(24-9-2-1-3-10-24)39-36(41-37)26-15-14-23-8-4-5-11-25(23)20-26/h1-22H
InChIKeyKEDHPMYIXUROCU-UHFFFAOYSA-N
MW527.60 g/mol
LogP9.62
Rot. Bonds3

About 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 121287208) has the molecular formula C37H22FN3 and a molecular weight of 527.60 g/mol. Its IUPAC name is 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID121287208
Molecular FormulaC37H22FN3
Molecular Weight527.60 g/mol
Exact Mass527.18
IUPAC Name2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESFc1ccc2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c3ccccc3c2c1
InChIInChI=1S/C37H22FN3/c38-28-17-19-32-31-18-16-27(21-33(31)29-12-6-7-13-30(29)34(32)22-28)37-40-35(24-9-2-1-3-10-24)39-36(41-37)26-15-14-23-8-4-5-11-25(23)20-26/h1-22H
InChIKeyKEDHPMYIXUROCU-UHFFFAOYSA-N
XLogP9.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-fluorotriphenylen-2-yl)-4-phenyl-6-[5-[7-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]triphenylen-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 137458945
2,4-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 160510215
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
2-naphthalen-2-yl-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-6-phenyl-1,3,5-triazine
CID 158202082

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 121287208) is 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Fc1ccc2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c3ccccc3c2c1.
What is the InChIKey of 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is KEDHPMYIXUROCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22FN3/c38-28-17-19-32-31-18-16-27(21-33(31)29-12-6-7-13-30(29)34(32)22-28)37-40-35(24-9-2-1-3-10-24)39-36(41-37)26-15-14-23-8-4-5-11-25(23)20-26/h1-22H.
What are the key properties of 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 527.60 g/mol, XLogP of 9.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 121287208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).