CID 136825502

C27H26BSi — CID 136825502

IUPAC—
SMILESCc1cc(C)c([B][Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H26BSi/c1-21-19-22(2)27(23(3)20-21)28-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3
InChIKeyFXUNXDNBDRNANE-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.61
Rot. Bonds5

About CID 136825502

CID 136825502 (PubChem CID 136825502) has the molecular formula C27H26BSi and a molecular weight of 389.40 g/mol.

Molecular Properties

Compound NameCID 136825502
PubChem CID136825502
Molecular FormulaC27H26BSi
Molecular Weight389.40 g/mol
Exact Mass389.19
IUPAC Name—
SMILESCc1cc(C)c([B][Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H26BSi/c1-21-19-22(2)27(23(3)20-21)28-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3
InChIKeyFXUNXDNBDRNANE-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bromo-phenyl-(2,4,6-trimethylphenyl)-λ3-iodane
CID 102139960
[dimethyl(phenyl)silyl]-(2-methoxy-3,5-dimethylphenyl)diazene
CID 21343001
(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
CID 101122697
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
(4-methylphenyl)-diphenyl-triphenylsilylsilane
CID 4518674
[bis(4-methylphenyl)-phenylsilyl]-bis(4-methylphenyl)-phenylsilane
CID 5077893
bis(3-bromo-5-methylphenyl)-diphenylsilane
CID 158819587
2-(4-tert-butylphenyl)propan-2-yl-triphenylsilane
CID 164928453
(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718686
1-[5-(C-methyl-N-triphenylsilylcarbonimidoyl)-1H-pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 158184309
quinoxalino[2,3-b]quinoxaline;bis((2,4,6-trimethylphenyl)boronic acid)
CID 139125208

Frequently Asked Questions

What is the IUPAC name of CID 136825502?
The IUPAC name of CID 136825502 (CID 136825502) is not available.
What is the SMILES notation for CID 136825502?
The canonical SMILES for CID 136825502 is Cc1cc(C)c([B][Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of CID 136825502?
The InChIKey is FXUNXDNBDRNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BSi/c1-21-19-22(2)27(23(3)20-21)28-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-20H,1-3H3.
What are the key properties of CID 136825502?
CID 136825502 has a molecular weight of 389.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136825502 is sourced from PubChem (CID 136825502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).