2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine

C40H24FN3 — CID 118545354

IUPAC2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Cc3ccccc3-4)n2)cc1
InChIInChI=1S/C40H24FN3/c41-27-19-16-24(17-20-27)38-42-39(44-40(43-38)35-15-7-14-29-28-9-2-1-8-25(28)22-37(29)35)26-18-21-34-32-12-4-3-10-30(32)31-11-5-6-13-33(31)36(34)23-26/h1-21,23H,22H2
InChIKeyGVTLQLZHLQPCIC-UHFFFAOYSA-N
MW565.65 g/mol
LogP10.04
Rot. Bonds3

About 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine

2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 118545354) has the molecular formula C40H24FN3 and a molecular weight of 565.65 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine
PubChem CID118545354
Molecular FormulaC40H24FN3
Molecular Weight565.65 g/mol
Exact Mass565.20
IUPAC Name2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Cc3ccccc3-4)n2)cc1
InChIInChI=1S/C40H24FN3/c41-27-19-16-24(17-20-27)38-42-39(44-40(43-38)35-15-7-14-29-28-9-2-1-8-25(28)22-37(29)35)26-18-21-34-32-12-4-3-10-30(32)31-11-5-6-13-33(31)36(34)23-26/h1-21,23H,22H2
InChIKeyGVTLQLZHLQPCIC-UHFFFAOYSA-N
XLogP10.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-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

2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
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-[10-(9H-fluoren-3-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155198239
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 121287208
2-phenyl-4-triphenylen-2-yl-6-(9H-xanthen-4-yl)-1,3,5-triazine
CID 88923619
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
2,4-diphenyl-6-(5-triphenylen-2-yl-9,10-dihydrophenanthren-2-yl)-1,3,5-triazine
CID 170366009

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine (CID 118545354) is 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4c3Cc3ccccc3-4)n2)cc1.
What is the InChIKey of 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine?
The InChIKey is GVTLQLZHLQPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24FN3/c41-27-19-16-24(17-20-27)38-42-39(44-40(43-38)35-15-7-14-29-28-9-2-1-8-25(28)22-37(29)35)26-18-21-34-32-12-4-3-10-30(32)31-11-5-6-13-33(31)36(34)23-26/h1-21,23H,22H2.
What are the key properties of 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine?
2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 565.65 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-4-(4-fluorophenyl)-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 118545354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).