(2-nitro-3,4,5-triphenylphenyl)phosphane

C24H18NO2P — CID 19382090

IUPAC(2-nitro-3,4,5-triphenylphenyl)phosphane
SMILESO=[N+]([O-])c1c(P)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18NO2P/c26-25(27)24-21(28)16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24)19-14-8-3-9-15-19/h1-16H,28H2
InChIKeyCFFCATDASJRPQF-UHFFFAOYSA-N
MW383.39 g/mol
LogP6.10
Rot. Bonds4

About (2-nitro-3,4,5-triphenylphenyl)phosphane

(2-nitro-3,4,5-triphenylphenyl)phosphane (PubChem CID 19382090) has the molecular formula C24H18NO2P and a molecular weight of 383.39 g/mol. Its IUPAC name is (2-nitro-3,4,5-triphenylphenyl)phosphane.

Molecular Properties

Compound Name(2-nitro-3,4,5-triphenylphenyl)phosphane
PubChem CID19382090
Molecular FormulaC24H18NO2P
Molecular Weight383.39 g/mol
Exact Mass383.11
IUPAC Name(2-nitro-3,4,5-triphenylphenyl)phosphane
SMILESO=[N+]([O-])c1c(P)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18NO2P/c26-25(27)24-21(28)16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24)19-14-8-3-9-15-19/h1-16H,28H2
InChIKeyCFFCATDASJRPQF-UHFFFAOYSA-N
XLogP6.10
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-nitro-3,4,5-triphenylphenyl)phosphane?
The IUPAC name of (2-nitro-3,4,5-triphenylphenyl)phosphane (CID 19382090) is (2-nitro-3,4,5-triphenylphenyl)phosphane.
What is the SMILES notation for (2-nitro-3,4,5-triphenylphenyl)phosphane?
The canonical SMILES for (2-nitro-3,4,5-triphenylphenyl)phosphane is O=[N+]([O-])c1c(P)cc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2-nitro-3,4,5-triphenylphenyl)phosphane?
The InChIKey is CFFCATDASJRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18NO2P/c26-25(27)24-21(28)16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(24)19-14-8-3-9-15-19/h1-16H,28H2.
What are the key properties of (2-nitro-3,4,5-triphenylphenyl)phosphane?
(2-nitro-3,4,5-triphenylphenyl)phosphane has a molecular weight of 383.39 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-3,4,5-triphenylphenyl)phosphane is sourced from PubChem (CID 19382090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).