5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

C26H19BrSi — CID 89375717

IUPAC5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
SMILESC[Si]1(C)c2ccccc2-c2cc3c4ccccc4c4cc(Br)ccc4c3cc21
InChIInChI=1S/C26H19BrSi/c1-28(2)25-10-6-5-9-20(25)24-14-22-18-8-4-3-7-17(18)21-13-16(27)11-12-19(21)23(22)15-26(24)28/h3-15H,1-2H3
InChIKeySOMXJQWQBBHAEM-UHFFFAOYSA-N
MW439.43 g/mol
LogP6.71
Rot. Bonds

About 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (PubChem CID 89375717) has the molecular formula C26H19BrSi and a molecular weight of 439.43 g/mol. Its IUPAC name is 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
PubChem CID89375717
Molecular FormulaC26H19BrSi
Molecular Weight439.43 g/mol
Exact Mass438.04
IUPAC Name5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
SMILESC[Si]1(C)c2ccccc2-c2cc3c4ccccc4c4cc(Br)ccc4c3cc21
InChIInChI=1S/C26H19BrSi/c1-28(2)25-10-6-5-9-20(25)24-14-22-18-8-4-3-7-17(18)21-13-16(27)11-12-19(21)23(22)15-26(24)28/h3-15H,1-2H3
InChIKeySOMXJQWQBBHAEM-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The IUPAC name of 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (CID 89375717) is 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.
What is the SMILES notation for 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The canonical SMILES for 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is C[Si]1(C)c2ccccc2-c2cc3c4ccccc4c4cc(Br)ccc4c3cc21.
What is the InChIKey of 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The InChIKey is SOMXJQWQBBHAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrSi/c1-28(2)25-10-6-5-9-20(25)24-14-22-18-8-4-3-7-17(18)21-13-16(27)11-12-19(21)23(22)15-26(24)28/h3-15H,1-2H3.
What are the key properties of 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene has a molecular weight of 439.43 g/mol, XLogP of 6.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-23,23-dimethyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 89375717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).