[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane

C44H30F2P2 — CID 11607115

IUPAC[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
SMILESFc1c(-c2c(P(c3ccccc3)c3ccccc3)cc3ccccc3c2F)c(P(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C44H30F2P2/c45-43-37-27-15-13-17-31(37)29-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)41(43)42-40(30-32-18-14-16-28-38(32)44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30H
InChIKeyBSHUSXKGAUYFJD-UHFFFAOYSA-N
MW658.67 g/mol
LogP9.45
Rot. Bonds7

About [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane

[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane (PubChem CID 11607115) has the molecular formula C44H30F2P2 and a molecular weight of 658.67 g/mol. Its IUPAC name is [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
PubChem CID11607115
Molecular FormulaC44H30F2P2
Molecular Weight658.67 g/mol
Exact Mass658.18
IUPAC Name[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
SMILESFc1c(-c2c(P(c3ccccc3)c3ccccc3)cc3ccccc3c2F)c(P(c2ccccc2)c2ccccc2)cc2ccccc12
InChIInChI=1S/C44H30F2P2/c45-43-37-27-15-13-17-31(37)29-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)41(43)42-40(30-32-18-14-16-28-38(32)44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30H
InChIKeyBSHUSXKGAUYFJD-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.67
LogP ≤ 59.45
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

3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
CID 162326327
CID 162326327
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
[1-[2-(3-fluorophenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164886915
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
[1-(2-diphenylphosphanyl-4-phosphorosonaphthalen-1-yl)-4-phosphorosonaphthalen-2-yl]-diphenylphosphane
CID 88908059
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[2-(2-anthracen-9-ylethynyl)phenyl]-diphenylphosphane;gold
CID 161314220
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene
CID 145488519

Frequently Asked Questions

What is the IUPAC name of [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane (CID 11607115) is [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane is Fc1c(-c2c(P(c3ccccc3)c3ccccc3)cc3ccccc3c2F)c(P(c2ccccc2)c2ccccc2)cc2ccccc12.
What is the InChIKey of [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane?
The InChIKey is BSHUSXKGAUYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F2P2/c45-43-37-27-15-13-17-31(37)29-39(47(33-19-5-1-6-20-33)34-21-7-2-8-22-34)41(43)42-40(30-32-18-14-16-28-38(32)44(42)46)48(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30H.
What are the key properties of [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane?
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane has a molecular weight of 658.67 g/mol, XLogP of 9.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 11607115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).