(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane

C36H54P4 — CID 139306011

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane
SMILESC[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC(C2C[C@@H](C)P(c3ccccc3P3[C@@H](C)CC[C@@H]3C)[C@@H]2C)[C@H]1C
InChIInChI=1S/C36H54P4/c1-23-17-18-24(2)37(23)33-13-9-11-15-35(33)39-27(5)21-31(29(39)7)32-22-28(6)40(30(32)8)36-16-12-10-14-34(36)38-25(3)19-20-26(38)4/h9-16,23-32H,17-22H2,1-8H3/t23-,24-,25+,26+,27-,28-,29-,30-,31?,32?,39?,40?/m1/s1
InChIKeyWBNBFJSKLRFKEW-VNDFRZPRSA-N
MW610.72 g/mol
LogP9.55
Rot. Bonds5

About (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane

(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane (PubChem CID 139306011) has the molecular formula C36H54P4 and a molecular weight of 610.72 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane
PubChem CID139306011
Molecular FormulaC36H54P4
Molecular Weight610.72 g/mol
Exact Mass610.32
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane
SMILESC[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC(C2C[C@@H](C)P(c3ccccc3P3[C@@H](C)CC[C@@H]3C)[C@@H]2C)[C@H]1C
InChIInChI=1S/C36H54P4/c1-23-17-18-24(2)37(23)33-13-9-11-15-35(33)39-27(5)21-31(29(39)7)32-22-28(6)40(30(32)8)36-16-12-10-14-34(36)38-25(3)19-20-26(38)4/h9-16,23-32H,17-22H2,1-8H3/t23-,24-,25+,26+,27-,28-,29-,30-,31?,32?,39?,40?/m1/s1
InChIKeyWBNBFJSKLRFKEW-VNDFRZPRSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane (CID 139306011) is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane is C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC(C2C[C@@H](C)P(c3ccccc3P3[C@@H](C)CC[C@@H]3C)[C@@H]2C)[C@H]1C.
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane?
The InChIKey is WBNBFJSKLRFKEW-VNDFRZPRSA-N. The full InChI is InChI=1S/C36H54P4/c1-23-17-18-24(2)37(23)33-13-9-11-15-35(33)39-27(5)21-31(29(39)7)32-22-28(6)40(30(32)8)36-16-12-10-14-34(36)38-25(3)19-20-26(38)4/h9-16,23-32H,17-22H2,1-8H3/t23-,24-,25+,26+,27-,28-,29-,30-,31?,32?,39?,40?/m1/s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane?
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane has a molecular weight of 610.72 g/mol, XLogP of 9.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane is sourced from PubChem (CID 139306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).