diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane

C36H32NP — CID 159994543

IUPACdiphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(CCc5ccccn5)c42)CC3)cc1
InChIInChI=1S/C36H32NP/c1-3-15-31(16-4-1)38(32-17-5-2-6-18-32)33-19-10-13-29-23-25-36(35(29)33)24-22-28-12-9-11-27(34(28)36)20-21-30-14-7-8-26-37-30/h1-19,26H,20-25H2/t36-/m1/s1
InChIKeyJPNKXKLGEDVVNB-PSXMRANNSA-N
MW509.63 g/mol
LogP6.80
Rot. Bonds6

About diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane

diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane (PubChem CID 159994543) has the molecular formula C36H32NP and a molecular weight of 509.63 g/mol. Its IUPAC name is diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
PubChem CID159994543
Molecular FormulaC36H32NP
Molecular Weight509.63 g/mol
Exact Mass509.23
IUPAC Namediphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(CCc5ccccn5)c42)CC3)cc1
InChIInChI=1S/C36H32NP/c1-3-15-31(16-4-1)38(32-17-5-2-6-18-32)33-19-10-13-29-23-25-36(35(29)33)24-22-28-12-9-11-27(34(28)36)20-21-30-14-7-8-26-37-30/h1-19,26H,20-25H2/t36-/m1/s1
InChIKeyJPNKXKLGEDVVNB-PSXMRANNSA-N
XLogP6.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-diphenylphosphane
CID 58232657
N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide
CID 134528460
pyridin-2-ylmethanamine;ruthenium;bis(triphenylphosphane)
CID 11513273
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294
(20-diphenylphosphanyl-3-tricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaenyl)-diphenylphosphane
CID 134992051
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
2-(2-pyridin-2-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79428498
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol
CID 122221437
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
(3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-amine;iridium trihydride;propan-1-ol
CID 139253038

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane?
The IUPAC name of diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane (CID 159994543) is diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane.
What is the SMILES notation for diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane?
The canonical SMILES for diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane is c1ccc(P(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(CCc5ccccn5)c42)CC3)cc1.
What is the InChIKey of diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane?
The InChIKey is JPNKXKLGEDVVNB-PSXMRANNSA-N. The full InChI is InChI=1S/C36H32NP/c1-3-15-31(16-4-1)38(32-17-5-2-6-18-32)33-19-10-13-29-23-25-36(35(29)33)24-22-28-12-9-11-27(34(28)36)20-21-30-14-7-8-26-37-30/h1-19,26H,20-25H2/t36-/m1/s1.
What are the key properties of diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane?
diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane has a molecular weight of 509.63 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(3R)-4-(2-pyridin-2-ylethyl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane is sourced from PubChem (CID 159994543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).