CID 71475020

C33H60N4Si4Yb — CID 71475020

IUPAC—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)c(N2[C]N(c3c(C)cc(C)cc3C)C=C2)c(C)c1.[Yb+2]
InChIInChI=1S/C21H24N2.2C6H18NSi2.Yb/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-8(2,3)7-9(4,5)6;/h7-12H,1-6H3;2*1-6H3;/q;2*-1;+2
InChIKeyVFVYINQGTABSPY-UHFFFAOYSA-N
MW798.25 g/mol
LogP11.39
Rot. Bonds6

About CID 71475020

CID 71475020 (PubChem CID 71475020) has the molecular formula C33H60N4Si4Yb and a molecular weight of 798.25 g/mol.

Molecular Properties

Compound NameCID 71475020
PubChem CID71475020
Molecular FormulaC33H60N4Si4Yb
Molecular Weight798.25 g/mol
Exact Mass798.33
IUPAC Name—
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)c(N2[C]N(c3c(C)cc(C)cc3C)C=C2)c(C)c1.[Yb+2]
InChIInChI=1S/C21H24N2.2C6H18NSi2.Yb/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-8(2,3)7-9(4,5)6;/h7-12H,1-6H3;2*1-6H3;/q;2*-1;+2
InChIKeyVFVYINQGTABSPY-UHFFFAOYSA-N
XLogP11.39
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.25
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71475020?
The IUPAC name of CID 71475020 (CID 71475020) is not available.
What is the SMILES notation for CID 71475020?
The canonical SMILES for CID 71475020 is C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cc(C)c(N2[C]N(c3c(C)cc(C)cc3C)C=C2)c(C)c1.[Yb+2].
What is the InChIKey of CID 71475020?
The InChIKey is VFVYINQGTABSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.2C6H18NSi2.Yb/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-8(2,3)7-9(4,5)6;/h7-12H,1-6H3;2*1-6H3;/q;2*-1;+2.
What are the key properties of CID 71475020?
CID 71475020 has a molecular weight of 798.25 g/mol, XLogP of 11.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71475020 is sourced from PubChem (CID 71475020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).