[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

C55H56P2Si — CID 11445751

IUPAC[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc([Si](C)(C)C)c3ccccc23)c1
InChIInChI=1S/C55H56P2Si/c1-35-22-36(2)27-44(26-35)56(45-28-37(3)23-38(4)29-45)51-21-20-43-16-12-13-17-48(43)54(51)55-50-19-15-14-18-49(50)53(58(9,10)11)34-52(55)57(46-30-39(5)24-40(6)31-46)47-32-41(7)25-42(8)33-47/h12-34H,1-11H3
InChIKeyWTZMPZJNBYKZCD-UHFFFAOYSA-N
MW807.09 g/mol
LogP12.19
Rot. Bonds8

About [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 11445751) has the molecular formula C55H56P2Si and a molecular weight of 807.09 g/mol. Its IUPAC name is [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID11445751
Molecular FormulaC55H56P2Si
Molecular Weight807.09 g/mol
Exact Mass806.36
IUPAC Name[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc([Si](C)(C)C)c3ccccc23)c1
InChIInChI=1S/C55H56P2Si/c1-35-22-36(2)27-44(26-35)56(45-28-37(3)23-38(4)29-45)51-21-20-43-16-12-13-17-48(43)54(51)55-50-19-15-14-18-49(50)53(58(9,10)11)34-52(55)57(46-30-39(5)24-40(6)31-46)47-32-41(7)25-42(8)33-47/h12-34H,1-11H3
InChIKeyWTZMPZJNBYKZCD-UHFFFAOYSA-N
XLogP12.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.09
LogP ≤ 512.19
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

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 22952292
bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982149
dichlororuthenium;[1-(2-diphenylphosphanyl-4-trimethylsilylnaphthalen-1-yl)-4-trimethylsilylnaphthalen-2-yl]-diphenylphosphane
CID 11423163
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
bis(3-methylphenyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 22399765

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane (CID 11445751) is [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc([Si](C)(C)C)c3ccccc23)c1.
What is the InChIKey of [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is WTZMPZJNBYKZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56P2Si/c1-35-22-36(2)27-44(26-35)56(45-28-37(3)23-38(4)29-45)51-21-20-43-16-12-13-17-48(43)54(51)55-50-19-15-14-18-49(50)53(58(9,10)11)34-52(55)57(46-30-39(5)24-40(6)31-46)47-32-41(7)25-42(8)33-47/h12-34H,1-11H3.
What are the key properties of [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane?
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 807.09 g/mol, XLogP of 12.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 11445751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).