(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane

C28H24N3O2P — CID 4224465

IUPAC(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane
SMILESCc1c(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C28H24N3O2P/c1-21-28(26-15-9-10-16-27(26)30(21)2)34(24-11-5-3-6-12-24,25-13-7-4-8-14-25)29-22-17-19-23(20-18-22)31(32)33/h3-20H,1-2H3
InChIKeyIIGUXNXOBZBGTN-UHFFFAOYSA-N
MW465.49 g/mol
LogP6.20
Rot. Bonds5

About (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane

(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane (PubChem CID 4224465) has the molecular formula C28H24N3O2P and a molecular weight of 465.49 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane
PubChem CID4224465
Molecular FormulaC28H24N3O2P
Molecular Weight465.49 g/mol
Exact Mass465.16
IUPAC Name(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane
SMILESCc1c(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C28H24N3O2P/c1-21-28(26-15-9-10-16-27(26)30(21)2)34(24-11-5-3-6-12-24,25-13-7-4-8-14-25)29-22-17-19-23(20-18-22)31(32)33/h3-20H,1-2H3
InChIKeyIIGUXNXOBZBGTN-UHFFFAOYSA-N
XLogP6.20
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane?
The IUPAC name of (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane (CID 4224465) is (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane?
The canonical SMILES for (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane is Cc1c(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane?
The InChIKey is IIGUXNXOBZBGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N3O2P/c1-21-28(26-15-9-10-16-27(26)30(21)2)34(24-11-5-3-6-12-24,25-13-7-4-8-14-25)29-22-17-19-23(20-18-22)31(32)33/h3-20H,1-2H3.
What are the key properties of (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane?
(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane has a molecular weight of 465.49 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane is sourced from PubChem (CID 4224465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).