bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane

C57H41P — CID 158054425

IUPACbis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C57H41P/c1-58(45-29-15-6-16-30-45,46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,41-21-7-2-8-22-41)42-23-9-3-10-24-42)47-36-38-51-49-32-18-20-34-53(49)57(55(51)40-47,43-25-11-4-12-26-43)44-27-13-5-14-28-44/h2-40H,1H2
InChIKeyXRNJVUULJTXKGK-UHFFFAOYSA-N
MW756.93 g/mol
LogP12.14
Rot. Bonds7

About bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane

bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane (PubChem CID 158054425) has the molecular formula C57H41P and a molecular weight of 756.93 g/mol. Its IUPAC name is bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane
PubChem CID158054425
Molecular FormulaC57H41P
Molecular Weight756.93 g/mol
Exact Mass756.29
IUPAC Namebis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane
SMILESC=P(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C57H41P/c1-58(45-29-15-6-16-30-45,46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,41-21-7-2-8-22-41)42-23-9-3-10-24-42)47-36-38-51-49-32-18-20-34-53(49)57(55(51)40-47,43-25-11-4-12-26-43)44-27-13-5-14-28-44/h2-40H,1H2
InChIKeyXRNJVUULJTXKGK-UHFFFAOYSA-N
XLogP12.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-ethenyl-9,9-diphenylfluorene
CID 144583514
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
CID 157306926
3-(4-diphenylphosphorylphenyl)-9,9-diphenylfluoren-2-ol
CID 146367956
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-diphenylfluorene;propane
CID 158205050
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888

Frequently Asked Questions

What is the IUPAC name of bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane?
The IUPAC name of bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane (CID 158054425) is bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane.
What is the SMILES notation for bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane?
The canonical SMILES for bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane is C=P(c1ccccc1)(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane?
The InChIKey is XRNJVUULJTXKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41P/c1-58(45-29-15-6-16-30-45,46-35-37-50-48-31-17-19-33-52(48)56(54(50)39-46,41-21-7-2-8-22-41)42-23-9-3-10-24-42)47-36-38-51-49-32-18-20-34-53(49)57(55(51)40-47,43-25-11-4-12-26-43)44-27-13-5-14-28-44/h2-40H,1H2.
What are the key properties of bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane?
bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane has a molecular weight of 756.93 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane is sourced from PubChem (CID 158054425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).