(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene

C32H40P2Pt — CID 10886947

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.[Pt]
InChIInChI=1S/C18H28P2.C14H12.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h5-8,13-16H,9-12H2,1-4H3;1-12H;/b;12-11+;/t13-,14-,15-,16-;;/m1../s1
InChIKeyJKNAMLSVQRUAAA-GDBHMGLQSA-N
MW681.70 g/mol
LogP8.90
Rot. Bonds4

About (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene

(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene (PubChem CID 10886947) has the molecular formula C32H40P2Pt and a molecular weight of 681.70 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene
PubChem CID10886947
Molecular FormulaC32H40P2Pt
Molecular Weight681.70 g/mol
Exact Mass681.23
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.[Pt]
InChIInChI=1S/C18H28P2.C14H12.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h5-8,13-16H,9-12H2,1-4H3;1-12H;/b;12-11+;/t13-,14-,15-,16-;;/m1../s1
InChIKeyJKNAMLSVQRUAAA-GDBHMGLQSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.70
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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]-2,5-dimethylphospholane;platinum;(E)-stilbene?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene (CID 10886947) is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene is C(=C/c1ccccc1)\c1ccccc1.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.[Pt].
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene?
The InChIKey is JKNAMLSVQRUAAA-GDBHMGLQSA-N. The full InChI is InChI=1S/C18H28P2.C14H12.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h5-8,13-16H,9-12H2,1-4H3;1-12H;/b;12-11+;/t13-,14-,15-,16-;;/m1../s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene?
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;platinum;(E)-stilbene has a molecular weight of 681.70 g/mol, XLogP of 8.90, 4 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]-2,5-dimethylphospholane;platinum;(E)-stilbene is sourced from PubChem (CID 10886947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).