CID 87935963

C25H38Cl2NOSi3Zr — CID 87935963

IUPAC—
SMILESCC[Si](C)(C)[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C25H38NOSi3.2ClH.Zr/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4;;;/h12-16,26H,11H2,1-10H3;2*1H;/q-1;;;+3/p-2
InChIKeyQKVXFQQXQZBWRP-UHFFFAOYSA-L
MW614.97 g/mol
LogP0.45
Rot. Bonds5

About CID 87935963

CID 87935963 (PubChem CID 87935963) has the molecular formula C25H38Cl2NOSi3Zr and a molecular weight of 614.97 g/mol.

Molecular Properties

Compound NameCID 87935963
PubChem CID87935963
Molecular FormulaC25H38Cl2NOSi3Zr
Molecular Weight614.97 g/mol
Exact Mass612.07
IUPAC Name—
SMILESCC[Si](C)(C)[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C25H38NOSi3.2ClH.Zr/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4;;;/h12-16,26H,11H2,1-10H3;2*1H;/q-1;;;+3/p-2
InChIKeyQKVXFQQXQZBWRP-UHFFFAOYSA-L
XLogP0.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.97
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87935847
CID 87935847
CID 87935924
CID 87935924
CID 87935934
CID 87935934
CID 87935972
CID 87935972
N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
CID 87935996
CID 87936096
CID 87936096
CID 87936222
CID 87936222
CID 87936224
CID 87936224
N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
CID 87936277
N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
CID 87936284
N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride
CID 87936461
N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride
CID 87936559

Frequently Asked Questions

What is the IUPAC name of CID 87935963?
The IUPAC name of CID 87935963 (CID 87935963) is not available.
What is the SMILES notation for CID 87935963?
The canonical SMILES for CID 87935963 is CC[Si](C)(C)[Si]1(C)c2c(NC(C)(C)C)c(O[Si](C)(C)C)c3c([cH-]c4ccccc43)c21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 87935963?
The InChIKey is QKVXFQQXQZBWRP-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H38NOSi3.2ClH.Zr/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4;;;/h12-16,26H,11H2,1-10H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of CID 87935963?
CID 87935963 has a molecular weight of 614.97 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87935963 is sourced from PubChem (CID 87935963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).