(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine

C39H35NOP2 — CID 11228366

IUPAC(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
SMILESCN([C@@H](c1ccccc1)[C@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m0/s1
InChIKeyQUNUCIXYSHOEQS-ZESVVUHVSA-N
MW595.66 g/mol
LogP8.51
Rot. Bonds11

About (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine

(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine (PubChem CID 11228366) has the molecular formula C39H35NOP2 and a molecular weight of 595.66 g/mol. Its IUPAC name is (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine.

Molecular Properties

Compound Name(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
PubChem CID11228366
Molecular FormulaC39H35NOP2
Molecular Weight595.66 g/mol
Exact Mass595.22
IUPAC Name(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine
SMILESCN([C@@H](c1ccccc1)[C@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m0/s1
InChIKeyQUNUCIXYSHOEQS-ZESVVUHVSA-N
XLogP8.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.66
LogP ≤ 58.51
H-Bond Donors ≤ 50
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 (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The IUPAC name of (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine (CID 11228366) is (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine.
What is the SMILES notation for (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The canonical SMILES for (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine is CN([C@@H](c1ccccc1)[C@H](OP(c1ccccc1)c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
The InChIKey is QUNUCIXYSHOEQS-ZESVVUHVSA-N. The full InChI is InChI=1S/C39H35NOP2/c1-40(42(34-24-12-4-13-25-34)35-26-14-5-15-27-35)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41-43(36-28-16-6-17-29-36)37-30-18-7-19-31-37/h2-31,38-39H,1H3/t38-,39+/m0/s1.
What are the key properties of (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine?
(1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine has a molecular weight of 595.66 g/mol, XLogP of 8.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-diphenylphosphanyl-2-diphenylphosphanyloxy-N-methyl-1,2-diphenylethanamine is sourced from PubChem (CID 11228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).