bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium

C31H62Cl2N2P2Si2Zr — CID 11967075

IUPACbis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium
SMILESC[Si](C)(C)N=P(C(=[Zr](Cl)Cl)P(=N[Si](C)(C)C)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H62N2P2Si2.2ClH.Zr/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;;;/h28-31H,7-26H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyCNVCHZIPDBOJCD-UHFFFAOYSA-L
MW743.10 g/mol
LogP13.40
Rot. Bonds8

About bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium

bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium (PubChem CID 11967075) has the molecular formula C31H62Cl2N2P2Si2Zr and a molecular weight of 743.10 g/mol. Its IUPAC name is bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium.

Molecular Properties

Compound Namebis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium
PubChem CID11967075
Molecular FormulaC31H62Cl2N2P2Si2Zr
Molecular Weight743.10 g/mol
Exact Mass740.24
IUPAC Namebis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium
SMILESC[Si](C)(C)N=P(C(=[Zr](Cl)Cl)P(=N[Si](C)(C)C)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H62N2P2Si2.2ClH.Zr/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;;;/h28-31H,7-26H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyCNVCHZIPDBOJCD-UHFFFAOYSA-L
XLogP13.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.10
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium?
The IUPAC name of bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium (CID 11967075) is bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium.
What is the SMILES notation for bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium?
The canonical SMILES for bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium is C[Si](C)(C)N=P(C(=[Zr](Cl)Cl)P(=N[Si](C)(C)C)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium?
The InChIKey is CNVCHZIPDBOJCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H62N2P2Si2.2ClH.Zr/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;;;/h28-31H,7-26H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium?
bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium has a molecular weight of 743.10 g/mol, XLogP of 13.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[dicyclohexyl(trimethylsilylimino)-λ5-phosphanyl]methylidene-dichlorozirconium is sourced from PubChem (CID 11967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).