(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol

C35H34NOP — CID 11954626

IUPAC(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1P(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H34NOP/c1-28(36(26-29-16-6-2-7-17-29)27-30-18-8-3-9-19-30)35(37)33-24-14-15-25-34(33)38(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25,28,35,37H,26-27H2,1H3/t28-,35-/m0/s1
InChIKeyIRBNPOKYSHJWSG-WJVKJDHCSA-N
MW515.64 g/mol
LogP6.57
Rot. Bonds10

About (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol

(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol (PubChem CID 11954626) has the molecular formula C35H34NOP and a molecular weight of 515.64 g/mol. Its IUPAC name is (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol
PubChem CID11954626
Molecular FormulaC35H34NOP
Molecular Weight515.64 g/mol
Exact Mass515.24
IUPAC Name(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1P(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H34NOP/c1-28(36(26-29-16-6-2-7-17-29)27-30-18-8-3-9-19-30)35(37)33-24-14-15-25-34(33)38(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25,28,35,37H,26-27H2,1H3/t28-,35-/m0/s1
InChIKeyIRBNPOKYSHJWSG-WJVKJDHCSA-N
XLogP6.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol (CID 11954626) is (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol is C[C@@H]([C@H](O)c1ccccc1P(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol?
The InChIKey is IRBNPOKYSHJWSG-WJVKJDHCSA-N. The full InChI is InChI=1S/C35H34NOP/c1-28(36(26-29-16-6-2-7-17-29)27-30-18-8-3-9-19-30)35(37)33-24-14-15-25-34(33)38(31-20-10-4-11-21-31)32-22-12-5-13-23-32/h2-25,28,35,37H,26-27H2,1H3/t28-,35-/m0/s1.
What are the key properties of (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol?
(1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol has a molecular weight of 515.64 g/mol, XLogP of 6.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(dibenzylamino)-1-(2-diphenylphosphanylphenyl)propan-1-ol is sourced from PubChem (CID 11954626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).