ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane

C28H46P2 — CID 102468817

IUPACditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc2cccc(CP(C(C)(C)C)C(C)(C)C)c12)C(C)(C)C
InChIInChI=1S/C28H46P2/c1-25(2,3)29(26(4,5)6)19-22-17-13-15-21-16-14-18-23(24(21)22)20-30(27(7,8)9)28(10,11)12/h13-18H,19-20H2,1-12H3
InChIKeyPWIIYHFSTNFWED-UHFFFAOYSA-N
MW444.62 g/mol
LogP10.00
Rot. Bonds4

About ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane

ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane (PubChem CID 102468817) has the molecular formula C28H46P2 and a molecular weight of 444.62 g/mol. Its IUPAC name is ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane
PubChem CID102468817
Molecular FormulaC28H46P2
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Nameditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc2cccc(CP(C(C)(C)C)C(C)(C)C)c12)C(C)(C)C
InChIInChI=1S/C28H46P2/c1-25(2,3)29(26(4,5)6)19-22-17-13-15-21-16-14-18-23(24(21)22)20-30(27(7,8)9)28(10,11)12/h13-18H,19-20H2,1-12H3
InChIKeyPWIIYHFSTNFWED-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2,3-bis(ditert-butylphosphanylmethyl)phenyl]-6-(ditert-butylphosphanylmethyl)phenyl]methyl-ditert-butylphosphane
CID 140544690
ditert-butyl-[[2-(diphenylphosphanylmethyl)phenyl]methyl]phosphane
CID 87241692
ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane
CID 87241691
[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane
CID 87241716
ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
CID 102310635
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
(8-ethylnaphthalen-1-yl)methanol
CID 59514335
chlororuthenium(1+);ditert-butyl-[[3-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane;methanone
CID 87247139
bis(bromopalladium(1+));bis(ditert-butyl(phenylmethyl)phosphane)
CID 54708682
ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane
CID 173176245
ditert-butyl(1,10-phenanthrolin-2-ylmethyl)phosphane
CID 122456424
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylphenyl]methyl]phosphane
CID 87464602

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane (CID 102468817) is ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane is CC(C)(C)P(Cc1cccc2cccc(CP(C(C)(C)C)C(C)(C)C)c12)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane?
The InChIKey is PWIIYHFSTNFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46P2/c1-25(2,3)29(26(4,5)6)19-22-17-13-15-21-16-14-18-23(24(21)22)20-30(27(7,8)9)28(10,11)12/h13-18H,19-20H2,1-12H3.
What are the key properties of ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane?
ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane has a molecular weight of 444.62 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane is sourced from PubChem (CID 102468817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).