2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine

C41H25F2N3 — CID 159255421

IUPAC2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C41H25F2N3/c42-33-21-17-30(18-22-33)40-44-39(45-41(46-40)31-19-23-34(43)24-20-31)29-15-11-27(12-16-29)26-9-13-28(14-10-26)38-25-32-5-1-2-6-35(32)36-7-3-4-8-37(36)38/h1-25H
InChIKeyKXTDBSHBPKXEJQ-UHFFFAOYSA-N
MW597.67 g/mol
LogP10.79
Rot. Bonds5

About 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine

2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 159255421) has the molecular formula C41H25F2N3 and a molecular weight of 597.67 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID159255421
Molecular FormulaC41H25F2N3
Molecular Weight597.67 g/mol
Exact Mass597.20
IUPAC Name2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)n2)cc1
InChIInChI=1S/C41H25F2N3/c42-33-21-17-30(18-22-33)40-44-39(45-41(46-40)31-19-23-34(43)24-20-31)29-15-11-27(12-16-29)26-9-13-28(14-10-26)38-25-32-5-1-2-6-35(32)36-7-3-4-8-37(36)38/h1-25H
InChIKeyKXTDBSHBPKXEJQ-UHFFFAOYSA-N
XLogP10.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.67
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-(4-naphthalen-1-ylphenyl)-4-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 156695703
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
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-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137393008
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 137393003
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine (CID 159255421) is 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is KXTDBSHBPKXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F2N3/c42-33-21-17-30(18-22-33)40-44-39(45-41(46-40)31-19-23-34(43)24-20-31)29-15-11-27(12-16-29)26-9-13-28(14-10-26)38-25-32-5-1-2-6-35(32)36-7-3-4-8-37(36)38/h1-25H.
What are the key properties of 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine?
2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 597.67 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-6-[4-(4-phenanthren-9-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159255421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).