N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline

C29H30N3OP — CID 16752789

IUPACN-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
SMILESO[P@]1N(c2ccccc2)C[C@@H](CCNc2ccccc2)N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H30N3OP/c33-34-31(22-24-11-10-14-26(21-24)25-12-4-1-5-13-25)29(19-20-30-27-15-6-2-7-16-27)23-32(34)28-17-8-3-9-18-28/h1-18,21,29-30,33H,19-20,22-23H2/t29-,34+/m1/s1
InChIKeyVAOZHDJVHGTTGD-SJHOIFEDSA-N
MW467.55 g/mol
LogP6.77
Rot. Bonds8

About N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline

N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline (PubChem CID 16752789) has the molecular formula C29H30N3OP and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
PubChem CID16752789
Molecular FormulaC29H30N3OP
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC NameN-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
SMILESO[P@]1N(c2ccccc2)C[C@@H](CCNc2ccccc2)N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C29H30N3OP/c33-34-31(22-24-11-10-14-26(21-24)25-12-4-1-5-13-25)29(19-20-30-27-15-6-2-7-16-27)23-32(34)28-17-8-3-9-18-28/h1-18,21,29-30,33H,19-20,22-23H2/t29-,34+/m1/s1
InChIKeyVAOZHDJVHGTTGD-SJHOIFEDSA-N
XLogP6.77
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The IUPAC name of N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline (CID 16752789) is N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The canonical SMILES for N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline is O[P@]1N(c2ccccc2)C[C@@H](CCNc2ccccc2)N1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The InChIKey is VAOZHDJVHGTTGD-SJHOIFEDSA-N. The full InChI is InChI=1S/C29H30N3OP/c33-34-31(22-24-11-10-14-26(21-24)25-12-4-1-5-13-25)29(19-20-30-27-15-6-2-7-16-27)23-32(34)28-17-8-3-9-18-28/h1-18,21,29-30,33H,19-20,22-23H2/t29-,34+/m1/s1.
What are the key properties of N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline has a molecular weight of 467.55 g/mol, XLogP of 6.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline is sourced from PubChem (CID 16752789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).