CID 175493363

C25H22O2Si3 — CID 175493363

IUPAC—
SMILESC[Si](O[Si])O[Si](C)(C)c1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C25H22O2Si3/c1-29(26-28)27-30(2,3)25-10-6-9-19-13-22-14-20-11-17-7-4-5-8-18(17)12-21(20)15-23(22)16-24(19)25/h4-16H,1-3H3
InChIKeyPMSABBVVOJAKCD-UHFFFAOYSA-N
MW438.71 g/mol
LogP5.95
Rot. Bonds4

About CID 175493363

CID 175493363 (PubChem CID 175493363) has the molecular formula C25H22O2Si3 and a molecular weight of 438.71 g/mol.

Molecular Properties

Compound NameCID 175493363
PubChem CID175493363
Molecular FormulaC25H22O2Si3
Molecular Weight438.71 g/mol
Exact Mass438.09
IUPAC Name—
SMILESC[Si](O[Si])O[Si](C)(C)c1cccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C25H22O2Si3/c1-29(26-28)27-30(2,3)25-10-6-9-19-13-22-14-20-11-17-7-4-5-8-18(17)12-21(20)15-23(22)16-24(19)25/h4-16H,1-3H3
InChIKeyPMSABBVVOJAKCD-UHFFFAOYSA-N
XLogP5.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.71
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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1-anthracen-1-ylperoxyanthracene
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heptacen-1-ol
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anthracen-1-ylsulfanium
CID 23128637
trimethyl(2-pentacen-1-ylethynyl)silane
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ethane;pentacene
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dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
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CID 23434735

Frequently Asked Questions

What is the IUPAC name of CID 175493363?
The IUPAC name of CID 175493363 (CID 175493363) is not available.
What is the SMILES notation for CID 175493363?
The canonical SMILES for CID 175493363 is C[Si](O[Si])O[Si](C)(C)c1cccc2cc3cc4cc5ccccc5cc4cc3cc12.
What is the InChIKey of CID 175493363?
The InChIKey is PMSABBVVOJAKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2Si3/c1-29(26-28)27-30(2,3)25-10-6-9-19-13-22-14-20-11-17-7-4-5-8-18(17)12-21(20)15-23(22)16-24(19)25/h4-16H,1-3H3.
What are the key properties of CID 175493363?
CID 175493363 has a molecular weight of 438.71 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175493363 is sourced from PubChem (CID 175493363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).