[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane

C34H32P2 — CID 46216943

IUPAC[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
SMILESC[C@@H](c1cccc([C@H](C)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32P2/c1-27(35(31-18-7-3-8-19-31)32-20-9-4-10-21-32)29-16-15-17-30(26-29)28(2)36(33-22-11-5-12-23-33)34-24-13-6-14-25-34/h3-28H,1-2H3/t27-,28-/m0/s1
InChIKeyBJRWZAYHIJYGOV-NSOVKSMOSA-N
MW502.58 g/mol
LogP8.07
Rot. Bonds8

About [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane

[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane (PubChem CID 46216943) has the molecular formula C34H32P2 and a molecular weight of 502.58 g/mol. Its IUPAC name is [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
PubChem CID46216943
Molecular FormulaC34H32P2
Molecular Weight502.58 g/mol
Exact Mass502.20
IUPAC Name[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
SMILESC[C@@H](c1cccc([C@H](C)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32P2/c1-27(35(31-18-7-3-8-19-31)32-20-9-4-10-21-32)29-16-15-17-30(26-29)28(2)36(33-22-11-5-12-23-33)34-24-13-6-14-25-34/h3-28H,1-2H3/t27-,28-/m0/s1
InChIKeyBJRWZAYHIJYGOV-NSOVKSMOSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(1-diphenylphosphanylethyl)aniline
CID 151885183
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
1-[6-(1-diphenylphosphanylethyl)-2-pyridinyl]ethyl-diphenylphosphane;ethane
CID 159086200
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-(2,3-dimethylphenyl)ethyl-diphenylphosphane
CID 174399183
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
CID 87094669
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
[(R)-[5-[(R)-diphenylphosphanyl(phenyl)methyl]cyclopenta-1,4-dien-1-yl]-phenylmethyl]-diphenylphosphane
CID 102270266
2-diphenylphosphanylpropanoic acid
CID 14902743
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane?
The IUPAC name of [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane (CID 46216943) is [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane.
What is the SMILES notation for [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane?
The canonical SMILES for [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane is C[C@@H](c1cccc([C@H](C)P(c2ccccc2)c2ccccc2)c1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane?
The InChIKey is BJRWZAYHIJYGOV-NSOVKSMOSA-N. The full InChI is InChI=1S/C34H32P2/c1-27(35(31-18-7-3-8-19-31)32-20-9-4-10-21-32)29-16-15-17-30(26-29)28(2)36(33-22-11-5-12-23-33)34-24-13-6-14-25-34/h3-28H,1-2H3/t27-,28-/m0/s1.
What are the key properties of [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane?
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane has a molecular weight of 502.58 g/mol, XLogP of 8.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane is sourced from PubChem (CID 46216943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).