3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine

C56H41N2OP — CID 134596151

IUPAC3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine
SMILESCC1(c2ccccc2)c2cc(-c3cccnc3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccc4c(c3)C(C)(c3ccccc3)c3cc(-c5cccnc5)ccc3-4)cc21
InChIInChI=1S/C56H41N2OP/c1-55(42-16-6-3-7-17-42)51-32-38(40-14-12-30-57-36-40)22-26-47(51)49-28-24-45(34-53(49)55)60(59,44-20-10-5-11-21-44)46-25-29-50-48-27-23-39(41-15-13-31-58-37-41)33-52(48)56(2,54(50)35-46)43-18-8-4-9-19-43/h3-37H,1-2H3
InChIKeyCFLOBSGIYYMFSY-UHFFFAOYSA-N
MW788.93 g/mol
LogP12.12
Rot. Bonds7

About 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine

3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine (PubChem CID 134596151) has the molecular formula C56H41N2OP and a molecular weight of 788.93 g/mol. Its IUPAC name is 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine.

Molecular Properties

Compound Name3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine
PubChem CID134596151
Molecular FormulaC56H41N2OP
Molecular Weight788.93 g/mol
Exact Mass788.30
IUPAC Name3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine
SMILESCC1(c2ccccc2)c2cc(-c3cccnc3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccc4c(c3)C(C)(c3ccccc3)c3cc(-c5cccnc5)ccc3-4)cc21
InChIInChI=1S/C56H41N2OP/c1-55(42-16-6-3-7-17-42)51-32-38(40-14-12-30-57-36-40)22-26-47(51)49-28-24-45(34-53(49)55)60(59,44-20-10-5-11-21-44)46-25-29-50-48-27-23-39(41-15-13-31-58-37-41)33-52(48)56(2,54(50)35-46)43-18-8-4-9-19-43/h3-37H,1-2H3
InChIKeyCFLOBSGIYYMFSY-UHFFFAOYSA-N
XLogP12.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.93
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-diphenylphosphorylphenyl)pyridine
CID 118672824
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine
CID 159590291
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
CID 58758028
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 159513755

Frequently Asked Questions

What is the IUPAC name of 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine?
The IUPAC name of 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine (CID 134596151) is 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine.
What is the SMILES notation for 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine?
The canonical SMILES for 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine is CC1(c2ccccc2)c2cc(-c3cccnc3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccc4c(c3)C(C)(c3ccccc3)c3cc(-c5cccnc5)ccc3-4)cc21.
What is the InChIKey of 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine?
The InChIKey is CFLOBSGIYYMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N2OP/c1-55(42-16-6-3-7-17-42)51-32-38(40-14-12-30-57-36-40)22-26-47(51)49-28-24-45(34-53(49)55)60(59,44-20-10-5-11-21-44)46-25-29-50-48-27-23-39(41-15-13-31-58-37-41)33-52(48)56(2,54(50)35-46)43-18-8-4-9-19-43/h3-37H,1-2H3.
What are the key properties of 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine?
3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine has a molecular weight of 788.93 g/mol, XLogP of 12.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine is sourced from PubChem (CID 134596151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).