4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine

C25H32N5OP — CID 5202110

IUPAC4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
SMILESCc1ccc(N=P2(N3CCOCC3)C(=C3N(C)c4ccccc4C3(C)C)C=NN2C)cc1
InChIInChI=1S/C25H32N5OP/c1-19-10-12-20(13-11-19)27-32(30-14-16-31-17-15-30)23(18-26-29(32)5)24-25(2,3)21-8-6-7-9-22(21)28(24)4/h6-13,18H,14-17H2,1-5H3
InChIKeyAIJIWSXNEATHHC-UHFFFAOYSA-N
MW449.54 g/mol
LogP5.56
Rot. Bonds2

About 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine

4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine (PubChem CID 5202110) has the molecular formula C25H32N5OP and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
PubChem CID5202110
Molecular FormulaC25H32N5OP
Molecular Weight449.54 g/mol
Exact Mass449.23
IUPAC Name4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
SMILESCc1ccc(N=P2(N3CCOCC3)C(=C3N(C)c4ccccc4C3(C)C)C=NN2C)cc1
InChIInChI=1S/C25H32N5OP/c1-19-10-12-20(13-11-19)27-32(30-14-16-31-17-15-30)23(18-26-29(32)5)24-25(2,3)21-8-6-7-9-22(21)28(24)4/h6-13,18H,14-17H2,1-5H3
InChIKeyAIJIWSXNEATHHC-UHFFFAOYSA-N
XLogP5.56
TPSA43.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine 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 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine (CID 5202110) is 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine is Cc1ccc(N=P2(N3CCOCC3)C(=C3N(C)c4ccccc4C3(C)C)C=NN2C)cc1.
What is the InChIKey of 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
The InChIKey is AIJIWSXNEATHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N5OP/c1-19-10-12-20(13-11-19)27-32(30-14-16-31-17-15-30)23(18-26-29(32)5)24-25(2,3)21-8-6-7-9-22(21)28(24)4/h6-13,18H,14-17H2,1-5H3.
What are the key properties of 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine?
4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine has a molecular weight of 449.54 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(4-methylphenyl)imino-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine is sourced from PubChem (CID 5202110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).