benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane

C28H36P2 — CID 102459485

IUPACbenzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
SMILESCC(C)(C)P(Cc1ccccc1)c1ccccc1P(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36P2/c1-27(2,3)29(21-23-15-9-7-10-16-23)25-19-13-14-20-26(25)30(28(4,5)6)22-24-17-11-8-12-18-24/h7-20H,21-22H2,1-6H3
InChIKeyGSRVFGBYPPSFHO-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.90
Rot. Bonds6

About benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane

benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane (PubChem CID 102459485) has the molecular formula C28H36P2 and a molecular weight of 434.54 g/mol. Its IUPAC name is benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane.

Molecular Properties

Compound Namebenzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
PubChem CID102459485
Molecular FormulaC28H36P2
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Namebenzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
SMILESCC(C)(C)P(Cc1ccccc1)c1ccccc1P(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36P2/c1-27(2,3)29(21-23-15-9-7-10-16-23)25-19-13-14-20-26(25)30(28(4,5)6)22-24-17-11-8-12-18-24/h7-20H,21-22H2,1-6H3
InChIKeyGSRVFGBYPPSFHO-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.90
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

tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
CID 134940623
tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
CID 159836265
palladium;bis(tribenzylphosphane)
CID 87652258
benzyl(ditert-butyl)azanium
CID 58320117
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
2,2-dimethylpropane;phenylmethanamine
CID 158787980
benzyl-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphane;benzyl-tert-butyl-(3,5-dimethylphenyl)phosphane;1-methyl-2-phenoxybenzene
CID 158471486
methyl 2-[benzyl(tert-butyl)phosphanyl]carbonyloxypropanoate
CID 23414310
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
N-[2-(hydroxyamino)-1-phenylpropan-2-yl]hydroxylamine
CID 141409556

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane?
The IUPAC name of benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane (CID 102459485) is benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane.
What is the SMILES notation for benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane?
The canonical SMILES for benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane is CC(C)(C)P(Cc1ccccc1)c1ccccc1P(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane?
The InChIKey is GSRVFGBYPPSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36P2/c1-27(2,3)29(21-23-15-9-7-10-16-23)25-19-13-14-20-26(25)30(28(4,5)6)22-24-17-11-8-12-18-24/h7-20H,21-22H2,1-6H3.
What are the key properties of benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane?
benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane has a molecular weight of 434.54 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane is sourced from PubChem (CID 102459485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).