N,N-bis(diphenylphosphanyl)-4-fluoroaniline

C30H24FNP2 — CID 15809434

IUPACN,N-bis(diphenylphosphanyl)-4-fluoroaniline
SMILESFc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24FNP2/c31-25-21-23-26(24-22-25)32(33(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyBGGHSIBITOOESA-UHFFFAOYSA-N
MW479.48 g/mol
LogP6.73
Rot. Bonds7

About N,N-bis(diphenylphosphanyl)-4-fluoroaniline

N,N-bis(diphenylphosphanyl)-4-fluoroaniline (PubChem CID 15809434) has the molecular formula C30H24FNP2 and a molecular weight of 479.48 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-4-fluoroaniline.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-4-fluoroaniline
PubChem CID15809434
Molecular FormulaC30H24FNP2
Molecular Weight479.48 g/mol
Exact Mass479.14
IUPAC NameN,N-bis(diphenylphosphanyl)-4-fluoroaniline
SMILESFc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24FNP2/c31-25-21-23-26(24-22-25)32(33(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H
InChIKeyBGGHSIBITOOESA-UHFFFAOYSA-N
XLogP6.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-4-fluoroaniline?
The IUPAC name of N,N-bis(diphenylphosphanyl)-4-fluoroaniline (CID 15809434) is N,N-bis(diphenylphosphanyl)-4-fluoroaniline.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-4-fluoroaniline?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-4-fluoroaniline is Fc1ccc(N(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-4-fluoroaniline?
The InChIKey is BGGHSIBITOOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FNP2/c31-25-21-23-26(24-22-25)32(33(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H.
What are the key properties of N,N-bis(diphenylphosphanyl)-4-fluoroaniline?
N,N-bis(diphenylphosphanyl)-4-fluoroaniline has a molecular weight of 479.48 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-4-fluoroaniline is sourced from PubChem (CID 15809434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).