3-bis(4-chlorophenyl)phosphanyloxyaniline

C18H14Cl2NOP — CID 141296939

IUPAC3-bis(4-chlorophenyl)phosphanyloxyaniline
SMILESNc1cccc(OP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14Cl2NOP/c19-13-4-8-17(9-5-13)23(18-10-6-14(20)7-11-18)22-16-3-1-2-15(21)12-16/h1-12H,21H2
InChIKeyXCAVDEQMUHTUQV-UHFFFAOYSA-N
MW362.20 g/mol
LogP5.00
Rot. Bonds4

About 3-bis(4-chlorophenyl)phosphanyloxyaniline

3-bis(4-chlorophenyl)phosphanyloxyaniline (PubChem CID 141296939) has the molecular formula C18H14Cl2NOP and a molecular weight of 362.20 g/mol. Its IUPAC name is 3-bis(4-chlorophenyl)phosphanyloxyaniline.

Molecular Properties

Compound Name3-bis(4-chlorophenyl)phosphanyloxyaniline
PubChem CID141296939
Molecular FormulaC18H14Cl2NOP
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name3-bis(4-chlorophenyl)phosphanyloxyaniline
SMILESNc1cccc(OP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14Cl2NOP/c19-13-4-8-17(9-5-13)23(18-10-6-14(20)7-11-18)22-16-3-1-2-15(21)12-16/h1-12H,21H2
InChIKeyXCAVDEQMUHTUQV-UHFFFAOYSA-N
XLogP5.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bis(4-chlorophenyl)phosphanyloxyaniline?
The IUPAC name of 3-bis(4-chlorophenyl)phosphanyloxyaniline (CID 141296939) is 3-bis(4-chlorophenyl)phosphanyloxyaniline.
What is the SMILES notation for 3-bis(4-chlorophenyl)phosphanyloxyaniline?
The canonical SMILES for 3-bis(4-chlorophenyl)phosphanyloxyaniline is Nc1cccc(OP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-bis(4-chlorophenyl)phosphanyloxyaniline?
The InChIKey is XCAVDEQMUHTUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2NOP/c19-13-4-8-17(9-5-13)23(18-10-6-14(20)7-11-18)22-16-3-1-2-15(21)12-16/h1-12H,21H2.
What are the key properties of 3-bis(4-chlorophenyl)phosphanyloxyaniline?
3-bis(4-chlorophenyl)phosphanyloxyaniline has a molecular weight of 362.20 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(4-chlorophenyl)phosphanyloxyaniline is sourced from PubChem (CID 141296939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).