tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane

C50H44P2 — CID 175110521

IUPACtetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
SMILESc1ccc(P(CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H44P2/c1-9-25-43(26-10-1)51(44-27-11-2-12-28-44,45-29-13-3-14-30-45,46-31-15-4-16-32-46)41-42-52(47-33-17-5-18-34-47,48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyRTDOOKXITJQKTM-UHFFFAOYSA-N
MW706.85 g/mol
LogP8.70
Rot. Bonds11

About tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane

tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane (PubChem CID 175110521) has the molecular formula C50H44P2 and a molecular weight of 706.85 g/mol. Its IUPAC name is tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane.

Molecular Properties

Compound Nametetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
PubChem CID175110521
Molecular FormulaC50H44P2
Molecular Weight706.85 g/mol
Exact Mass706.29
IUPAC Nametetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
SMILESc1ccc(P(CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C50H44P2/c1-9-25-43(26-10-1)51(44-27-11-2-12-28-44,45-29-13-3-14-30-45,46-31-15-4-16-32-46)41-42-52(47-33-17-5-18-34-47,48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyRTDOOKXITJQKTM-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 58.70
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

benzyl-fluoro-triphenyl-λ5-phosphane;hydrochloride
CID 173254965
benzyl-chloro-triphenyl-lambda5-phosphane
CID 631738
bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane
CID 57282353
benzyl-triphenyl-phosphanyl-λ5-phosphane;hydrobromide
CID 174822547
(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
CID 139767697
3-[2-hydroxyethyl(triphenyl)-λ5-phosphanyl]propan-1-ol
CID 88862410
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
tris(antimony(3+));tris(trioxido(diphenyl)-λ5-phosphane)
CID 158103427
CID 21451224
CID 21451224
ethylbenzene;molybdenum
CID 161189179
CID 71339905
CID 71339905
CID 162329550
CID 162329550

Frequently Asked Questions

What is the IUPAC name of tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane?
The IUPAC name of tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane (CID 175110521) is tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane.
What is the SMILES notation for tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane?
The canonical SMILES for tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane is c1ccc(P(CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane?
The InChIKey is RTDOOKXITJQKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44P2/c1-9-25-43(26-10-1)51(44-27-11-2-12-28-44,45-29-13-3-14-30-45,46-31-15-4-16-32-46)41-42-52(47-33-17-5-18-34-47,48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2.
What are the key properties of tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane?
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane has a molecular weight of 706.85 g/mol, XLogP of 8.70, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane is sourced from PubChem (CID 175110521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).