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

C170H111N3 — CID 158530956

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)ccc5c34)ccc21.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C60H37N.C60H39N.C50H35N/c1-3-16-38(17-4-1)57-36-42(37-58(61-57)39-18-5-2-6-19-39)40-30-32-50-51(34-40)45-21-8-7-20-44(45)49-26-15-25-43(59(49)50)41-31-33-56-52(35-41)48-24-11-14-29-55(48)60(56)53-27-12-9-22-46(53)47-23-10-13-28-54(47)60;1-5-18-40(19-6-1)57-38-44(39-58(61-57)41-20-7-2-8-21-41)42-32-34-52-53(36-42)49-27-14-13-26-48(49)51-30-17-29-47(59(51)52)43-33-35-56-54(37-43)50-28-15-16-31-55(50)60(56,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-50(2)45-23-12-11-20-40(45)44-29-35(25-27-46(44)50)37-21-13-22-41-38-18-9-10-19-39(38)43-28-34(24-26-42(43)49(37)41)36-30-47(32-14-5-3-6-15-32)51-48(31-36)33-16-7-4-8-17-33/h1-37H;1-39H;3-31H,1-2H3
InChIKeyHNIZEIXFSXTIFG-UHFFFAOYSA-N
MW2195.78 g/mol
LogP44.64
Rot. Bonds14

About 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

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 (PubChem CID 158530956) has the molecular formula C170H111N3 and a molecular weight of 2195.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158530956
Molecular FormulaC170H111N3
Molecular Weight2195.78 g/mol
Exact Mass2193.88
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)ccc5c34)ccc21.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C60H37N.C60H39N.C50H35N/c1-3-16-38(17-4-1)57-36-42(37-58(61-57)39-18-5-2-6-19-39)40-30-32-50-51(34-40)45-21-8-7-20-44(45)49-26-15-25-43(59(49)50)41-31-33-56-52(35-41)48-24-11-14-29-55(48)60(56)53-27-12-9-22-46(53)47-23-10-13-28-54(47)60;1-5-18-40(19-6-1)57-38-44(39-58(61-57)41-20-7-2-8-21-41)42-32-34-52-53(36-42)49-27-14-13-26-48(49)51-30-17-29-47(59(51)52)43-33-35-56-54(37-43)50-28-15-16-31-55(50)60(56,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-50(2)45-23-12-11-20-40(45)44-29-35(25-27-46(44)50)37-21-13-22-41-38-18-9-10-19-39(38)43-28-34(24-26-42(43)49(37)41)36-30-47(32-14-5-3-6-15-32)51-48(31-36)33-16-7-4-8-17-33/h1-37H;1-39H;3-31H,1-2H3
InChIKeyHNIZEIXFSXTIFG-UHFFFAOYSA-N
XLogP44.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002195.78
LogP ≤ 544.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
CID 138599907
2-(5-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158138584
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
4-[3-(5-dibenzofuran-3-yltriphenylen-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 159973968
4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160704637
4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138600008
2-[4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138600050
2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyrimidine
CID 138600218
4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138600177
4-(9,9-dimethyl-6'-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-2,6-diphenylpyridine
CID 153293199
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)ccc5c34)ccc21.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c34)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3c3cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is HNIZEIXFSXTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N.C60H39N.C50H35N/c1-3-16-38(17-4-1)57-36-42(37-58(61-57)39-18-5-2-6-19-39)40-30-32-50-51(34-40)45-21-8-7-20-44(45)49-26-15-25-43(59(49)50)41-31-33-56-52(35-41)48-24-11-14-29-55(48)60(56)53-27-12-9-22-46(53)47-23-10-13-28-54(47)60;1-5-18-40(19-6-1)57-38-44(39-58(61-57)41-20-7-2-8-21-41)42-32-34-52-53(36-42)49-27-14-13-26-48(49)51-30-17-29-47(59(51)52)43-33-35-56-54(37-43)50-28-15-16-31-55(50)60(56,45-22-9-3-10-23-45)46-24-11-4-12-25-46;1-50(2)45-23-12-11-20-40(45)44-29-35(25-27-46(44)50)37-21-13-22-41-38-18-9-10-19-39(38)43-28-34(24-26-42(43)49(37)41)36-30-47(32-14-5-3-6-15-32)51-48(31-36)33-16-7-4-8-17-33/h1-37H;1-39H;3-31H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2195.78 g/mol, XLogP of 44.64, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158530956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).