lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane

C31H39LiP2 — CID 177462809

IUPAClithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=[C-]/P(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C31H39P2.Li/c1-29(2,3)23-20-26(30(4,5)6)28(27(21-23)31(7,8)9)32-22-33(24-16-12-10-13-17-24)25-18-14-11-15-19-25;/h10-21H,1-9H3;/q-1;+1
InChIKeyXLGRLIRERFDEQW-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.92
Rot. Bonds4

About lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane

lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane (PubChem CID 177462809) has the molecular formula C31H39LiP2 and a molecular weight of 480.54 g/mol. Its IUPAC name is lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane.

Molecular Properties

Compound Namelithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
PubChem CID177462809
Molecular FormulaC31H39LiP2
Molecular Weight480.54 g/mol
Exact Mass480.27
IUPAC Namelithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=[C-]/P(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C31H39P2.Li/c1-29(2,3)23-20-26(30(4,5)6)28(27(21-23)31(7,8)9)32-22-33(24-16-12-10-13-17-24)25-18-14-11-15-19-25;/h10-21H,1-9H3;/q-1;+1
InChIKeyXLGRLIRERFDEQW-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
1-methyl-4-propan-2-ylbenzene;(2,4,6-tritert-butylphenyl)phosphanylideneosmium;triphenylphosphane
CID 134984697
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
[2,3-bis[bromo(phenyl)methyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 134888306
(1-bromo-2-phenylethylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 11431063
[2,3-bis(5-phenylthiophen-2-yl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 102254650
fluoren-9-ylidenemethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 102303473
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
1-phenylpenta-1,4-diyn-3-ylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 54771244
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156

Frequently Asked Questions

What is the IUPAC name of lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane?
The IUPAC name of lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane (CID 177462809) is lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane.
What is the SMILES notation for lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane?
The canonical SMILES for lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=[C-]/P(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1.[Li+].
What is the InChIKey of lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane?
The InChIKey is XLGRLIRERFDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39P2.Li/c1-29(2,3)23-20-26(30(4,5)6)28(27(21-23)31(7,8)9)32-22-33(24-16-12-10-13-17-24)25-18-14-11-15-19-25;/h10-21H,1-9H3;/q-1;+1.
What are the key properties of lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane?
lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane has a molecular weight of 480.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane is sourced from PubChem (CID 177462809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).