5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole

C24H26NOP — CID 3435465

IUPAC5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C24H26NOP/c1-18-24(2,3)22-17-21(15-16-23(22)25(18)4)27(26,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyIDKJYURVTPXLSH-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.44
Rot. Bonds3

About 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole

5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole (PubChem CID 3435465) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole.

Molecular Properties

Compound Name5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole
PubChem CID3435465
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC Name5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C24H26NOP/c1-18-24(2,3)22-17-21(15-16-23(22)25(18)4)27(26,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3
InChIKeyIDKJYURVTPXLSH-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole?
The IUPAC name of 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole (CID 3435465) is 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole.
What is the SMILES notation for 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole?
The canonical SMILES for 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole is CC1N(C)c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2C1(C)C.
What is the InChIKey of 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole?
The InChIKey is IDKJYURVTPXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NOP/c1-18-24(2,3)22-17-21(15-16-23(22)25(18)4)27(26,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3.
What are the key properties of 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole?
5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole has a molecular weight of 375.45 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphoryl-1,2,3,3-tetramethyl-2H-indole is sourced from PubChem (CID 3435465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).