[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane

C44H28F4P2 — CID 10417268

IUPAC[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(c2ccc(F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(F)cc3)c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H28F4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28H
InChIKeyHERIBEFTSVQUHC-UHFFFAOYSA-N
MW694.65 g/mol
LogP9.73
Rot. Bonds7

About [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane

[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane (PubChem CID 10417268) has the molecular formula C44H28F4P2 and a molecular weight of 694.65 g/mol. Its IUPAC name is [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane
PubChem CID10417268
Molecular FormulaC44H28F4P2
Molecular Weight694.65 g/mol
Exact Mass694.16
IUPAC Name[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(c2ccc(F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(F)cc3)c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H28F4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28H
InChIKeyHERIBEFTSVQUHC-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.65
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane?
The IUPAC name of [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane (CID 10417268) is [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane is Fc1ccc(P(c2ccc(F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(F)cc3)c3ccc(F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane?
The InChIKey is HERIBEFTSVQUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28H.
What are the key properties of [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane?
[1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane has a molecular weight of 694.65 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(4-fluorophenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 10417268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).