CID 67896889

C27H32NO2Si — CID 67896889

IUPAC—
SMILESC[Si](C)Oc1c(C(C)(C)C)ccc2cc(-c3ccc(C4=NC(C)(C)CO4)cc3)ccc12
InChIInChI=1S/C27H32NO2Si/c1-26(2,3)23-15-13-21-16-20(12-14-22(21)24(23)30-31(6)7)18-8-10-19(11-9-18)25-28-27(4,5)17-29-25/h8-16H,17H2,1-7H3
InChIKeyHBMVUPVHUNECNP-UHFFFAOYSA-N
MW430.64 g/mol
LogP6.99
Rot. Bonds4

About CID 67896889

CID 67896889 (PubChem CID 67896889) has the molecular formula C27H32NO2Si and a molecular weight of 430.64 g/mol.

Molecular Properties

Compound NameCID 67896889
PubChem CID67896889
Molecular FormulaC27H32NO2Si
Molecular Weight430.64 g/mol
Exact Mass430.22
IUPAC Name—
SMILESC[Si](C)Oc1c(C(C)(C)C)ccc2cc(-c3ccc(C4=NC(C)(C)CO4)cc3)ccc12
InChIInChI=1S/C27H32NO2Si/c1-26(2,3)23-15-13-21-16-20(12-14-22(21)24(23)30-31(6)7)18-8-10-19(11-9-18)25-28-27(4,5)17-29-25/h8-16H,17H2,1-7H3
InChIKeyHBMVUPVHUNECNP-UHFFFAOYSA-N
XLogP6.99
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 56.99
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 67896889?
The IUPAC name of CID 67896889 (CID 67896889) is not available.
What is the SMILES notation for CID 67896889?
The canonical SMILES for CID 67896889 is C[Si](C)Oc1c(C(C)(C)C)ccc2cc(-c3ccc(C4=NC(C)(C)CO4)cc3)ccc12.
What is the InChIKey of CID 67896889?
The InChIKey is HBMVUPVHUNECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32NO2Si/c1-26(2,3)23-15-13-21-16-20(12-14-22(21)24(23)30-31(6)7)18-8-10-19(11-9-18)25-28-27(4,5)17-29-25/h8-16H,17H2,1-7H3.
What are the key properties of CID 67896889?
CID 67896889 has a molecular weight of 430.64 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67896889 is sourced from PubChem (CID 67896889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).