2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine

C50H35N — CID 138599907

IUPAC2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)ccc5c34)cc21
InChIInChI=1S/C50H35N/c1-50(2)45-23-12-11-20-40(45)41-26-24-34(29-46(41)50)37-21-13-22-42-38-18-9-10-19-39(38)44-28-35(25-27-43(44)49(37)42)48-31-36(32-14-5-3-6-15-32)30-47(51-48)33-16-7-4-8-17-33/h3-31H,1-2H3
InChIKeyLYHISSPIFNNZOS-UHFFFAOYSA-N
MW649.84 g/mol
LogP13.52
Rot. Bonds4

About 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine

2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine (PubChem CID 138599907) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
PubChem CID138599907
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)ccc5c34)cc21
InChIInChI=1S/C50H35N/c1-50(2)45-23-12-11-20-40(45)41-26-24-34(29-46(41)50)37-21-13-22-42-38-18-9-10-19-39(38)44-28-35(25-27-43(44)49(37)42)48-31-36(32-14-5-3-6-15-32)30-47(51-48)33-16-7-4-8-17-33/h3-31H,1-2H3
InChIKeyLYHISSPIFNNZOS-UHFFFAOYSA-N
XLogP13.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine 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-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyridine
CID 157474525
4-[12-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-2,6-diphenylpyrimidine
CID 138600013
4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158530956
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138600144
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168778658
2-[4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138600050
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 126695211
2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]pyrimidine
CID 138600066
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-phenyl-4-(4-phenylphenyl)-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 138599979

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine?
The IUPAC name of 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine (CID 138599907) is 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine is CC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)ccc5c34)cc21.
What is the InChIKey of 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine?
The InChIKey is LYHISSPIFNNZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-50(2)45-23-12-11-20-40(45)41-26-24-34(29-46(41)50)37-21-13-22-42-38-18-9-10-19-39(38)44-28-35(25-27-43(44)49(37)42)48-31-36(32-14-5-3-6-15-32)30-47(51-48)33-16-7-4-8-17-33/h3-31H,1-2H3.
What are the key properties of 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine?
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine has a molecular weight of 649.84 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine is sourced from PubChem (CID 138599907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).