ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane

C24H42P2 — CID 73446146

IUPACditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane
SMILESCC(C)(C)P(C=c1ccccc1=CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H42P2/c1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12/h13-18H,1-12H3
InChIKeySZYZKWMZXRZXPH-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.32
Rot. Bonds2

About ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane

ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane (PubChem CID 73446146) has the molecular formula C24H42P2 and a molecular weight of 392.55 g/mol. Its IUPAC name is ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane
PubChem CID73446146
Molecular FormulaC24H42P2
Molecular Weight392.55 g/mol
Exact Mass392.28
IUPAC Nameditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane
SMILESCC(C)(C)P(C=c1ccccc1=CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H42P2/c1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12/h13-18H,1-12H3
InChIKeySZYZKWMZXRZXPH-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane?
The IUPAC name of ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane (CID 73446146) is ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane is CC(C)(C)P(C=c1ccccc1=CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane?
The InChIKey is SZYZKWMZXRZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42P2/c1-21(2,3)25(22(4,5)6)17-19-15-13-14-16-20(19)18-26(23(7,8)9)24(10,11)12/h13-18H,1-12H3.
What are the key properties of ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane?
ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane has a molecular weight of 392.55 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[6-(ditert-butylphosphanylmethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phosphane is sourced from PubChem (CID 73446146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).