1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid

C24H26NO4P — CID 174305371

IUPAC1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(CC(Cc2ccccc2)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C24H23N.H3O4P/c1-3-9-20(10-4-1)17-22(18-21-11-5-2-6-12-21)19-25-16-15-23-13-7-8-14-24(23)25;1-5(2,3)4/h1-16,22H,17-19H2;(H3,1,2,3,4)
InChIKeyIYBLLCUMZBDRIB-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.81
Rot. Bonds6

About 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid

1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid (PubChem CID 174305371) has the molecular formula C24H26NO4P and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid.

Molecular Properties

Compound Name1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid
PubChem CID174305371
Molecular FormulaC24H26NO4P
Molecular Weight423.45 g/mol
Exact Mass423.16
IUPAC Name1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid
SMILESO=P(O)(O)O.c1ccc(CC(Cc2ccccc2)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C24H23N.H3O4P/c1-3-9-20(10-4-1)17-22(18-21-11-5-2-6-12-21)19-25-16-15-23-13-7-8-14-24(23)25;1-5(2,3)4/h1-16,22H,17-19H2;(H3,1,2,3,4)
InChIKeyIYBLLCUMZBDRIB-UHFFFAOYSA-N
XLogP4.81
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methanamine;1-(2-phenylethyl)indole
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(2R)-1-amino-3-indol-1-ylpropan-2-ol
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N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
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1-anilino-3-indol-1-ylpropan-2-ol;oxalic acid
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1-indol-1-yl-N,N-dimethylpropan-2-amine
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1-benzyl-3-(2-indol-1-ylethyl)urea
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2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid?
The IUPAC name of 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid (CID 174305371) is 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid.
What is the SMILES notation for 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid?
The canonical SMILES for 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid is O=P(O)(O)O.c1ccc(CC(Cc2ccccc2)Cn2ccc3ccccc32)cc1.
What is the InChIKey of 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid?
The InChIKey is IYBLLCUMZBDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N.H3O4P/c1-3-9-20(10-4-1)17-22(18-21-11-5-2-6-12-21)19-25-16-15-23-13-7-8-14-24(23)25;1-5(2,3)4/h1-16,22H,17-19H2;(H3,1,2,3,4).
What are the key properties of 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid?
1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid has a molecular weight of 423.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-phenylpropyl)indole;phosphoric acid is sourced from PubChem (CID 174305371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).