CID 12985170

C36H45NSi2 — CID 12985170

IUPAC—
SMILESCc1cc(C)c([Si](c2ccccc2CN(C)C)[Si](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C36H45NSi2/c1-23-16-26(4)34(27(5)17-23)38(33-15-13-12-14-32(33)22-37(10)11)39(35-28(6)18-24(2)19-29(35)7)36-30(8)20-25(3)21-31(36)9/h12-21H,22H2,1-11H3
InChIKeyXDBIOWIRJJHUJJ-UHFFFAOYSA-N
MW547.94 g/mol
LogP5.52
Rot. Bonds7

About CID 12985170

CID 12985170 (PubChem CID 12985170) has the molecular formula C36H45NSi2 and a molecular weight of 547.94 g/mol.

Molecular Properties

Compound NameCID 12985170
PubChem CID12985170
Molecular FormulaC36H45NSi2
Molecular Weight547.94 g/mol
Exact Mass547.31
IUPAC Name—
SMILESCc1cc(C)c([Si](c2ccccc2CN(C)C)[Si](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C36H45NSi2/c1-23-16-26(4)34(27(5)17-23)38(33-15-13-12-14-32(33)22-37(10)11)39(35-28(6)18-24(2)19-29(35)7)36-30(8)20-25(3)21-31(36)9/h12-21H,22H2,1-11H3
InChIKeyXDBIOWIRJJHUJJ-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 12985170?
The IUPAC name of CID 12985170 (CID 12985170) is not available.
What is the SMILES notation for CID 12985170?
The canonical SMILES for CID 12985170 is Cc1cc(C)c([Si](c2ccccc2CN(C)C)[Si](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 12985170?
The InChIKey is XDBIOWIRJJHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45NSi2/c1-23-16-26(4)34(27(5)17-23)38(33-15-13-12-14-32(33)22-37(10)11)39(35-28(6)18-24(2)19-29(35)7)36-30(8)20-25(3)21-31(36)9/h12-21H,22H2,1-11H3.
What are the key properties of CID 12985170?
CID 12985170 has a molecular weight of 547.94 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12985170 is sourced from PubChem (CID 12985170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).