phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane

C24H34P2 — CID 13086218

IUPACphenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=P/c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H34P2/c1-22(2,3)17-15-19(23(4,5)6)21(20(16-17)24(7,8)9)26-25-18-13-11-10-12-14-18/h10-16H,1-9H3
InChIKeyXMNWRQQQNSXCPA-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.34
Rot. Bonds2

About phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane

phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane (PubChem CID 13086218) has the molecular formula C24H34P2 and a molecular weight of 384.48 g/mol. Its IUPAC name is phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane.

Molecular Properties

Compound Namephenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
PubChem CID13086218
Molecular FormulaC24H34P2
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Namephenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=P/c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H34P2/c1-22(2,3)17-15-19(23(4,5)6)21(20(16-17)24(7,8)9)26-25-18-13-11-10-12-14-18/h10-16H,1-9H3
InChIKeyXMNWRQQQNSXCPA-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.34
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

lithium diphenyl-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phosphane
CID 177462809
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
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122
(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
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
[2,6-di(butan-2-yl)phenoxy]-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 135083263

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The IUPAC name of phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane (CID 13086218) is phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane.
What is the SMILES notation for phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The canonical SMILES for phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=P/c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
The InChIKey is XMNWRQQQNSXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34P2/c1-22(2,3)17-15-19(23(4,5)6)21(20(16-17)24(7,8)9)26-25-18-13-11-10-12-14-18/h10-16H,1-9H3.
What are the key properties of phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane?
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane has a molecular weight of 384.48 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane is sourced from PubChem (CID 13086218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).