2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

C45H28FN3 — CID 118545355

IUPAC2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H28FN3/c46-36-24-21-32(22-25-36)44-47-43(31-19-17-30(18-20-31)29-9-2-1-3-10-29)48-45(49-44)35-12-8-11-33(27-35)34-23-26-41-39-15-5-4-13-37(39)38-14-6-7-16-40(38)42(41)28-34/h1-28H
InChIKeySFBCRXBOYNXEHQ-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.81
Rot. Bonds5

About 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 118545355) has the molecular formula C45H28FN3 and a molecular weight of 629.74 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID118545355
Molecular FormulaC45H28FN3
Molecular Weight629.74 g/mol
Exact Mass629.23
IUPAC Name2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H28FN3/c46-36-24-21-32(22-25-36)44-47-43(31-19-17-30(18-20-31)29-9-2-1-3-10-29)48-45(49-44)35-12-8-11-33(27-35)34-23-26-41-39-15-5-4-13-37(39)38-14-6-7-16-40(38)42(41)28-34/h1-28H
InChIKeySFBCRXBOYNXEHQ-UHFFFAOYSA-N
XLogP11.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.81
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-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
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
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 121287208
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-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 118545355) is 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is SFBCRXBOYNXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN3/c46-36-24-21-32(22-25-36)44-47-43(31-19-17-30(18-20-31)29-9-2-1-3-10-29)48-45(49-44)35-12-8-11-33(27-35)34-23-26-41-39-15-5-4-13-37(39)38-14-6-7-16-40(38)42(41)28-34/h1-28H.
What are the key properties of 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 629.74 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118545355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).