(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one

C32H25NO — CID 135055054

IUPAC(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO/c34-32(27-18-8-3-9-19-27)30(23-28-21-12-20-24-13-10-11-22-29(24)28)33-31(25-14-4-1-5-15-25)26-16-6-2-7-17-26/h1-22,30H,23H2/t30-/m1/s1
InChIKeyMMOPDKOHIFYIGF-SSEXGKCCSA-N
MW439.56 g/mol
LogP7.17
Rot. Bonds7

About (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one

(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one (PubChem CID 135055054) has the molecular formula C32H25NO and a molecular weight of 439.56 g/mol. Its IUPAC name is (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one
PubChem CID135055054
Molecular FormulaC32H25NO
Molecular Weight439.56 g/mol
Exact Mass439.19
IUPAC Name(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO/c34-32(27-18-8-3-9-19-27)30(23-28-21-12-20-24-13-10-11-22-29(24)28)33-31(25-14-4-1-5-15-25)26-16-6-2-7-17-26/h1-22,30H,23H2/t30-/m1/s1
InChIKeyMMOPDKOHIFYIGF-SSEXGKCCSA-N
XLogP7.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 58025934
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one (CID 135055054) is (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one is O=C(c1ccccc1)[C@@H](Cc1cccc2ccccc12)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one?
The InChIKey is MMOPDKOHIFYIGF-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H25NO/c34-32(27-18-8-3-9-19-27)30(23-28-21-12-20-24-13-10-11-22-29(24)28)33-31(25-14-4-1-5-15-25)26-16-6-2-7-17-26/h1-22,30H,23H2/t30-/m1/s1.
What are the key properties of (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one?
(2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one has a molecular weight of 439.56 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylideneamino)-3-naphthalen-1-yl-1-phenylpropan-1-one is sourced from PubChem (CID 135055054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).