CID 119080600

C38H42N3Si3 — CID 119080600

IUPAC—
SMILESCN(C)c1cccc2cccc([Si]3c4cccc5cccc(c45)[Si]3(N(C)C)[Si](C)(C)c3cccc4cccc(N(C)C)c34)c12
InChIInChI=1S/C38H42N3Si3/c1-39(2)30-21-9-15-27-17-11-23-32(36(27)30)42-33-24-12-18-29-20-14-26-35(38(29)33)44(42,41(5)6)43(7,8)34-25-13-19-28-16-10-22-31(37(28)34)40(3)4/h9-26H,1-8H3
InChIKeyZQQIECWJQVSSTJ-UHFFFAOYSA-N
MW625.03 g/mol
LogP5.39
Rot. Bonds6

About CID 119080600

CID 119080600 (PubChem CID 119080600) has the molecular formula C38H42N3Si3 and a molecular weight of 625.03 g/mol.

Molecular Properties

Compound NameCID 119080600
PubChem CID119080600
Molecular FormulaC38H42N3Si3
Molecular Weight625.03 g/mol
Exact Mass624.27
IUPAC Name—
SMILESCN(C)c1cccc2cccc([Si]3c4cccc5cccc(c45)[Si]3(N(C)C)[Si](C)(C)c3cccc4cccc(N(C)C)c34)c12
InChIInChI=1S/C38H42N3Si3/c1-39(2)30-21-9-15-27-17-11-23-32(36(27)30)42-33-24-12-18-29-20-14-26-35(38(29)33)44(42,41(5)6)43(7,8)34-25-13-19-28-16-10-22-31(37(28)34)40(3)4/h9-26H,1-8H3
InChIKeyZQQIECWJQVSSTJ-UHFFFAOYSA-N
XLogP5.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.03
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 119080600?
The IUPAC name of CID 119080600 (CID 119080600) is not available.
What is the SMILES notation for CID 119080600?
The canonical SMILES for CID 119080600 is CN(C)c1cccc2cccc([Si]3c4cccc5cccc(c45)[Si]3(N(C)C)[Si](C)(C)c3cccc4cccc(N(C)C)c34)c12.
What is the InChIKey of CID 119080600?
The InChIKey is ZQQIECWJQVSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N3Si3/c1-39(2)30-21-9-15-27-17-11-23-32(36(27)30)42-33-24-12-18-29-20-14-26-35(38(29)33)44(42,41(5)6)43(7,8)34-25-13-19-28-16-10-22-31(37(28)34)40(3)4/h9-26H,1-8H3.
What are the key properties of CID 119080600?
CID 119080600 has a molecular weight of 625.03 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119080600 is sourced from PubChem (CID 119080600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).