(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one

C29H25NO2 — CID 18648107

IUPAC(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)N[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25NO2/c31-29-26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)30-27(24-12-6-2-7-13-24)28(32-29)25-14-8-3-9-15-25/h1-19,26-28,30H,20H2/t26-,27?,28?/m0/s1
InChIKeyXTFUCCWXLUDBRW-XWYKLZMASA-N
MW419.52 g/mol
LogP5.89
Rot. Bonds5

About (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one

(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one (PubChem CID 18648107) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one.

Molecular Properties

Compound Name(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one
PubChem CID18648107
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one
SMILESO=C1OC(c2ccccc2)C(c2ccccc2)N[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25NO2/c31-29-26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)30-27(24-12-6-2-7-13-24)28(32-29)25-14-8-3-9-15-25/h1-19,26-28,30H,20H2/t26-,27?,28?/m0/s1
InChIKeyXTFUCCWXLUDBRW-XWYKLZMASA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one?
The IUPAC name of (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one (CID 18648107) is (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one.
What is the SMILES notation for (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one?
The canonical SMILES for (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one is O=C1OC(c2ccccc2)C(c2ccccc2)N[C@H]1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one?
The InChIKey is XTFUCCWXLUDBRW-XWYKLZMASA-N. The full InChI is InChI=1S/C29H25NO2/c31-29-26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)30-27(24-12-6-2-7-13-24)28(32-29)25-14-8-3-9-15-25/h1-19,26-28,30H,20H2/t26-,27?,28?/m0/s1.
What are the key properties of (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one?
(3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one has a molecular weight of 419.52 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6-diphenyl-3-[(4-phenylphenyl)methyl]morpholin-2-one is sourced from PubChem (CID 18648107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).