(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane

C42H42P8 — CID 139121455

IUPAC(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane
SMILESc1ccc([P@@]2CC[P@@](c3ccccc3)P2[P@](CC[P@@](c2ccccc2)P2[P@@](c3ccccc3)CC[P@@]2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P8/c1-7-19-37(20-8-1)43-31-32-44(38-21-9-2-10-22-38)49(43)47(41-27-15-5-16-28-41)35-36-48(42-29-17-6-18-30-42)50-45(39-23-11-3-12-24-39)33-34-46(50)40-25-13-4-14-26-40/h1-30H,31-36H2/t43-,44+,45-,46+,47-,48+,49?,50?
InChIKeyNUYMISKZVPVRLJ-GXRDLMQFSA-N
MW794.59 g/mol
LogP12.31
Rot. Bonds11

About (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane

(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane (PubChem CID 139121455) has the molecular formula C42H42P8 and a molecular weight of 794.59 g/mol. Its IUPAC name is (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane.

Molecular Properties

Compound Name(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane
PubChem CID139121455
Molecular FormulaC42H42P8
Molecular Weight794.59 g/mol
Exact Mass794.12
IUPAC Name(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane
SMILESc1ccc([P@@]2CC[P@@](c3ccccc3)P2[P@](CC[P@@](c2ccccc2)P2[P@@](c3ccccc3)CC[P@@]2c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P8/c1-7-19-37(20-8-1)43-31-32-44(38-21-9-2-10-22-38)49(43)47(41-27-15-5-16-28-41)35-36-48(42-29-17-6-18-30-42)50-45(39-23-11-3-12-24-39)33-34-46(50)40-25-13-4-14-26-40/h1-30H,31-36H2/t43-,44+,45-,46+,47-,48+,49?,50?
InChIKeyNUYMISKZVPVRLJ-GXRDLMQFSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.59
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane?
The IUPAC name of (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane (CID 139121455) is (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane.
What is the SMILES notation for (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane?
The canonical SMILES for (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane is c1ccc([P@@]2CC[P@@](c3ccccc3)P2[P@](CC[P@@](c2ccccc2)P2[P@@](c3ccccc3)CC[P@@]2c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane?
The InChIKey is NUYMISKZVPVRLJ-GXRDLMQFSA-N. The full InChI is InChI=1S/C42H42P8/c1-7-19-37(20-8-1)43-31-32-44(38-21-9-2-10-22-38)49(43)47(41-27-15-5-16-28-41)35-36-48(42-29-17-6-18-30-42)50-45(39-23-11-3-12-24-39)33-34-46(50)40-25-13-4-14-26-40/h1-30H,31-36H2/t43-,44+,45-,46+,47-,48+,49?,50?.
What are the key properties of (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane?
(R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane has a molecular weight of 794.59 g/mol, XLogP of 12.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-[2-[[(1S,3R)-1,3-diphenyltriphospholan-2-yl]-phenylphosphanyl]ethyl]-phenylphosphane is sourced from PubChem (CID 139121455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).