[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane

C33H28NP — CID 132574426

IUPAC[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane
SMILESc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H28NP/c1-5-14-25(15-6-1)30-24-31(26-16-7-2-8-17-26)34-33-29(30)22-13-23-32(33)35(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-23,30-31,34H,24H2/t30-,31+/m1/s1
InChIKeyGGIQHSJREFDAIO-JSOSNVBQSA-N
MW469.57 g/mol
LogP7.13
Rot. Bonds5

About [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane

[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane (PubChem CID 132574426) has the molecular formula C33H28NP and a molecular weight of 469.57 g/mol. Its IUPAC name is [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane
PubChem CID132574426
Molecular FormulaC33H28NP
Molecular Weight469.57 g/mol
Exact Mass469.20
IUPAC Name[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane
SMILESc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H28NP/c1-5-14-25(15-6-1)30-24-31(26-16-7-2-8-17-26)34-33-29(30)22-13-23-32(33)35(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-23,30-31,34H,24H2/t30-,31+/m1/s1
InChIKeyGGIQHSJREFDAIO-JSOSNVBQSA-N
XLogP7.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane?
The IUPAC name of [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane (CID 132574426) is [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane.
What is the SMILES notation for [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane?
The canonical SMILES for [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane is c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane?
The InChIKey is GGIQHSJREFDAIO-JSOSNVBQSA-N. The full InChI is InChI=1S/C33H28NP/c1-5-14-25(15-6-1)30-24-31(26-16-7-2-8-17-26)34-33-29(30)22-13-23-32(33)35(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-23,30-31,34H,24H2/t30-,31+/m1/s1.
What are the key properties of [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane?
[(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane has a molecular weight of 469.57 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2,4-diphenyl-1,2,3,4-tetrahydroquinolin-8-yl]-diphenylphosphane is sourced from PubChem (CID 132574426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).