[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane

C36H34P2Si — CID 85293933

IUPAC[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
SMILESC[Si](C)(CP(c1ccccc1)c1cccc2ccccc12)CP(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C36H34P2Si/c1-39(2,27-37(31-19-5-3-6-20-31)35-25-13-17-29-15-9-11-23-33(29)35)28-38(32-21-7-4-8-22-32)36-26-14-18-30-16-10-12-24-34(30)36/h3-26H,27-28H2,1-2H3
InChIKeyCAUMWDONWJOPCV-UHFFFAOYSA-N
MW556.70 g/mol
LogP8.35
Rot. Bonds8

About [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane

[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane (PubChem CID 85293933) has the molecular formula C36H34P2Si and a molecular weight of 556.70 g/mol. Its IUPAC name is [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane.

Molecular Properties

Compound Name[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
PubChem CID85293933
Molecular FormulaC36H34P2Si
Molecular Weight556.70 g/mol
Exact Mass556.19
IUPAC Name[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
SMILESC[Si](C)(CP(c1ccccc1)c1cccc2ccccc12)CP(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C36H34P2Si/c1-39(2,27-37(31-19-5-3-6-20-31)35-25-13-17-29-15-9-11-23-33(29)35)28-38(32-21-7-4-8-22-32)36-26-14-18-30-16-10-12-24-34(30)36/h3-26H,27-28H2,1-2H3
InChIKeyCAUMWDONWJOPCV-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732473
naphthalen-1-yl-(2-naphthalen-2-ylethyl)-phenylphosphane
CID 132519539
difluoro(naphthalen-1-yl)phosphane
CID 102048113
1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane
CID 88727520
2-naphthalen-1-ylethyl(diphenyl)phosphane
CID 173438152
[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
CID 100943233
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
methoxymethyl(diphenyl)phosphane
CID 819497
[1-[2-(diphenylphosphanylmethyl)-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]methyl-diphenylphosphane
CID 10305313
1-[2-[ethyl(phenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-ol
CID 102477574

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane?
The IUPAC name of [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane (CID 85293933) is [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane.
What is the SMILES notation for [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane?
The canonical SMILES for [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane is C[Si](C)(CP(c1ccccc1)c1cccc2ccccc12)CP(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane?
The InChIKey is CAUMWDONWJOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34P2Si/c1-39(2,27-37(31-19-5-3-6-20-31)35-25-13-17-29-15-9-11-23-33(29)35)28-38(32-21-7-4-8-22-32)36-26-14-18-30-16-10-12-24-34(30)36/h3-26H,27-28H2,1-2H3.
What are the key properties of [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane?
[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane has a molecular weight of 556.70 g/mol, XLogP of 8.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane is sourced from PubChem (CID 85293933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).