(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium

C32H34IP2+ — CID 134577213

IUPAC(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium
SMILESC[C@@H]1CC[C@@H](C)[P+]1(I)c1cc2ccccc2cc1P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H34IP2/c1-23-17-18-24(2)35(23,33)32-22-28-16-10-9-15-27(28)21-31(32)34-29(25-11-5-3-6-12-25)19-20-30(34)26-13-7-4-8-14-26/h3-16,21-24,29-30H,17-20H2,1-2H3/q+1/t23-,24-,29+,30+/m1/s1
InChIKeyFHCGMKUPPZBCBS-PEMRLZPOSA-N
MW607.48 g/mol
LogP9.79
Rot. Bonds4

About (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium

(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium (PubChem CID 134577213) has the molecular formula C32H34IP2+ and a molecular weight of 607.48 g/mol. Its IUPAC name is (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium.

Molecular Properties

Compound Name(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium
PubChem CID134577213
Molecular FormulaC32H34IP2+
Molecular Weight607.48 g/mol
Exact Mass607.12
IUPAC Name(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium
SMILESC[C@@H]1CC[C@@H](C)[P+]1(I)c1cc2ccccc2cc1P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H34IP2/c1-23-17-18-24(2)35(23,33)32-22-28-16-10-9-15-27(28)21-31(32)34-29(25-11-5-3-6-12-25)19-20-30(34)26-13-7-4-8-14-26/h3-16,21-24,29-30H,17-20H2,1-2H3/q+1/t23-,24-,29+,30+/m1/s1
InChIKeyFHCGMKUPPZBCBS-PEMRLZPOSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.48
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 11716921
CID 11716921
(2R,5R)-1-methyl-2,5-diphenylphospholane
CID 87307913
2,5-diphenylphospholan-1-amine
CID 175816319
anthracene;2-methyloxirane
CID 174666283
N-ethyl-2,5-diphenylphospholan-1-amine
CID 140850108
ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
CID 122364984
(5R,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534445
(5S,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534446
1-cyclopenta-2,4-dien-1-yl-2,5-diphenylphospholane
CID 87306429
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
(2R,5R)-1,2-dimethyl-1-oxido-5-phenylpyrrolidin-1-ium
CID 15191886

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium?
The IUPAC name of (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium (CID 134577213) is (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium.
What is the SMILES notation for (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium?
The canonical SMILES for (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium is C[C@@H]1CC[C@@H](C)[P+]1(I)c1cc2ccccc2cc1P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium?
The InChIKey is FHCGMKUPPZBCBS-PEMRLZPOSA-N. The full InChI is InChI=1S/C32H34IP2/c1-23-17-18-24(2)35(23,33)32-22-28-16-10-9-15-27(28)21-31(32)34-29(25-11-5-3-6-12-25)19-20-30(34)26-13-7-4-8-14-26/h3-16,21-24,29-30H,17-20H2,1-2H3/q+1/t23-,24-,29+,30+/m1/s1.
What are the key properties of (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium?
(2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium has a molecular weight of 607.48 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[3-[(2S,5S)-2,5-diphenylphospholan-1-yl]naphthalen-2-yl]-1-iodo-2,5-dimethylphospholan-1-ium is sourced from PubChem (CID 134577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).