CID 11308850

C39H47N2P2Si2Sm- — CID 11308850

IUPAC—
SMILESC[Si](C)(C)N=P(C=P([N-][Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH][CH][CH][CH]1.[Sm]
InChIInChI=1S/C31H39N2P2Si2.C8H8.Sm/c1-36(2,3)32-34(28-19-11-7-12-20-28,29-21-13-8-14-22-29)27-35(33-37(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31;1-2-4-6-8-7-5-3-1;/h7-27H,1-6H3;1-8H;/q-1;;
InChIKeyPROBWNNJQMHHGD-UHFFFAOYSA-N
MW812.30 g/mol
LogP9.86
Rot. Bonds8

About CID 11308850

CID 11308850 (PubChem CID 11308850) has the molecular formula C39H47N2P2Si2Sm- and a molecular weight of 812.30 g/mol.

Molecular Properties

Compound NameCID 11308850
PubChem CID11308850
Molecular FormulaC39H47N2P2Si2Sm-
Molecular Weight812.30 g/mol
Exact Mass813.20
IUPAC Name—
SMILESC[Si](C)(C)N=P(C=P([N-][Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH][CH][CH][CH]1.[Sm]
InChIInChI=1S/C31H39N2P2Si2.C8H8.Sm/c1-36(2,3)32-34(28-19-11-7-12-20-28,29-21-13-8-14-22-29)27-35(33-37(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31;1-2-4-6-8-7-5-3-1;/h7-27H,1-6H3;1-8H;/q-1;;
InChIKeyPROBWNNJQMHHGD-UHFFFAOYSA-N
XLogP9.86
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.30
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diphenylphosphanylmethyl-diphenyl-trimethylsilylimino-lambda5-phosphane
CID 11826812
[Bis[diphenylphosphanyl(dimethyl)silyl]methyl-dimethylsilyl]-diphenylphosphane
CID 15848993
[Diphenyl(trimethylsilylimino)-lambda5-phosphanyl]methyl-diphenyl-trimethylsilylimino-lambda5-phosphane
CID 10984550
2-[Diphenyl(trimethylsilylimino)-lambda5-phosphanyl]ethyl-diphenyl-trimethylsilylimino-lambda5-phosphane
CID 15414054
Bis[diphenylphosphanylmethyl(dimethyl)silyl]azanide;carbanide;chromium(2+)
CID 15771952
1-(Trimethylsilylimino(diphenyl)phosphoranyl)-2-(triphenylgermyl)benzene
CID 15905783
N-diphenylphosphanyl-N-[diphenyl(trimethylsilylimino)-lambda5-phosphanyl]propan-1-amine
CID 15910223
Bis(manganese(2+));tetrakis(methanidyl(trimethyl)silane);bis(methyl(diphenyl)phosphane)
CID 15914343
CID 15972570
CID 15972570
[3-[Diphenyl(trimethylsilylimino)-lambda5-phosphanyl]-2-[[diphenyl(trimethylsilylimino)-lambda5-phosphanyl]methyl]propyl]-diphenyl-trimethylsilylimino-lambda5-phosphane
CID 102330600
Nickel(i) bis(triphenylphosphino)bis(trimethylsilyl)amide
CID 129813665
Nickel bis(triphenylphosphino)bis(trimethylsilyl)amide
CID 129813708

Frequently Asked Questions

What is the IUPAC name of CID 11308850?
The IUPAC name of CID 11308850 (CID 11308850) is not available.
What is the SMILES notation for CID 11308850?
The canonical SMILES for CID 11308850 is C[Si](C)(C)N=P(C=P([N-][Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH][CH][CH][CH]1.[Sm].
What is the InChIKey of CID 11308850?
The InChIKey is PROBWNNJQMHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N2P2Si2.C8H8.Sm/c1-36(2,3)32-34(28-19-11-7-12-20-28,29-21-13-8-14-22-29)27-35(33-37(4,5)6,30-23-15-9-16-24-30)31-25-17-10-18-26-31;1-2-4-6-8-7-5-3-1;/h7-27H,1-6H3;1-8H;/q-1;;.
What are the key properties of CID 11308850?
CID 11308850 has a molecular weight of 812.30 g/mol, XLogP of 9.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11308850 is sourced from PubChem (CID 11308850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).