CID 136716575

C21H41N3Si3+ — CID 136716575

IUPAC—
SMILESCC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si]1N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H41N3Si3/c1-20(2,3)22-19(18-16-14-13-15-17-18)23(21(4,5)6)25(22)24(26(7,8)9)27(10,11)12/h13-17H,1-12H3/q+1
InChIKeyMAWVMHJCPPSUMA-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.32
Rot. Bonds4

About CID 136716575

CID 136716575 (PubChem CID 136716575) has the molecular formula C21H41N3Si3+ and a molecular weight of 419.84 g/mol.

Molecular Properties

Compound NameCID 136716575
PubChem CID136716575
Molecular FormulaC21H41N3Si3+
Molecular Weight419.84 g/mol
Exact Mass419.26
IUPAC Name—
SMILESCC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si]1N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H41N3Si3/c1-20(2,3)22-19(18-16-14-13-15-17-18)23(21(4,5)6)25(22)24(26(7,8)9)27(10,11)12/h13-17H,1-12H3/q+1
InChIKeyMAWVMHJCPPSUMA-UHFFFAOYSA-N
XLogP5.32
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.32
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 136716575?
The IUPAC name of CID 136716575 (CID 136716575) is not available.
What is the SMILES notation for CID 136716575?
The canonical SMILES for CID 136716575 is CC(C)(C)N1C(c2ccccc2)=[N+](C(C)(C)C)[Si]1N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of CID 136716575?
The InChIKey is MAWVMHJCPPSUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3Si3/c1-20(2,3)22-19(18-16-14-13-15-17-18)23(21(4,5)6)25(22)24(26(7,8)9)27(10,11)12/h13-17H,1-12H3/q+1.
What are the key properties of CID 136716575?
CID 136716575 has a molecular weight of 419.84 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136716575 is sourced from PubChem (CID 136716575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).