2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C56H38F2N6 — CID 145277077

IUPAC2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC12CC(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)=CC=C1c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(F)F
InChIInChI=1S/C56H38F2N6/c1-55-35-45(37-24-28-43(29-25-37)54-63-51(40-18-10-4-11-19-40)60-52(64-54)41-20-12-5-13-21-41)31-33-47(55)46-32-30-44(34-48(46)56(55,57)58)36-22-26-42(27-23-36)53-61-49(38-14-6-2-7-15-38)59-50(62-53)39-16-8-3-9-17-39/h2-34H,35H2,1H3
InChIKeyZDFWICRSCNBGPF-UHFFFAOYSA-N
MW832.96 g/mol
LogP13.71
Rot. Bonds8

About 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 145277077) has the molecular formula C56H38F2N6 and a molecular weight of 832.96 g/mol. Its IUPAC name is 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID145277077
Molecular FormulaC56H38F2N6
Molecular Weight832.96 g/mol
Exact Mass832.31
IUPAC Name2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC12CC(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)=CC=C1c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(F)F
InChIInChI=1S/C56H38F2N6/c1-55-35-45(37-24-28-43(29-25-37)54-63-51(40-18-10-4-11-19-40)60-52(64-54)41-20-12-5-13-21-41)31-33-47(55)46-32-30-44(34-48(46)56(55,57)58)36-22-26-42(27-23-36)53-61-49(38-14-6-2-7-15-38)59-50(62-53)39-16-8-3-9-17-39/h2-34H,35H2,1H3
InChIKeyZDFWICRSCNBGPF-UHFFFAOYSA-N
XLogP13.71
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-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-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
4,4'-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,1'-biphenyl
CID 22598582
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
3,3'Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,1'-biphenyl
CID 122214449
2-Chloro-4-(9,9-diethyl-9h-fluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 125480095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 145277077) is 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC12CC(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)=CC=C1c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(F)F.
What is the InChIKey of 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZDFWICRSCNBGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38F2N6/c1-55-35-45(37-24-28-43(29-25-37)54-63-51(40-18-10-4-11-19-40)60-52(64-54)41-20-12-5-13-21-41)31-33-47(55)46-32-30-44(34-48(46)56(55,57)58)36-22-26-42(27-23-36)53-61-49(38-14-6-2-7-15-38)59-50(62-53)39-16-8-3-9-17-39/h2-34H,35H2,1H3.
What are the key properties of 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 832.96 g/mol, XLogP of 13.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluoro-8a-methyl-8H-fluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 145277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).