CID 159482803

C37H33BN2OSi — CID 159482803

IUPAC—
SMILESCOc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2OSi.C14H11B/c1-26-21-12-14-22(15-13-21)27-23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2-18H,27H2,1H3;1-11H
InChIKeyRSJJALVTEMRHCF-UHFFFAOYSA-N
MW560.58 g/mol
LogP6.38
Rot. Bonds8

About CID 159482803

CID 159482803 (PubChem CID 159482803) has the molecular formula C37H33BN2OSi and a molecular weight of 560.58 g/mol.

Molecular Properties

Compound NameCID 159482803
PubChem CID159482803
Molecular FormulaC37H33BN2OSi
Molecular Weight560.58 g/mol
Exact Mass560.25
IUPAC Name—
SMILESCOc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2OSi.C14H11B/c1-26-21-12-14-22(15-13-21)27-23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2-18H,27H2,1H3;1-11H
InChIKeyRSJJALVTEMRHCF-UHFFFAOYSA-N
XLogP6.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
CID 158070521
CID 158070521
CID 158866073
CID 158866073
CID 162009695
CID 162009695
CID 161292022
CID 161292022
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
CID 158834428
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
CID 160574681
CID 160574681
[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
CID 159427605
CID 159427605

Frequently Asked Questions

What is the IUPAC name of CID 159482803?
The IUPAC name of CID 159482803 (CID 159482803) is not available.
What is the SMILES notation for CID 159482803?
The canonical SMILES for CID 159482803 is COc1ccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.[B]C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 159482803?
The InChIKey is RSJJALVTEMRHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OSi.C14H11B/c1-26-21-12-14-22(15-13-21)27-23(25-17-16-24-18-25,19-8-4-2-5-9-19)20-10-6-3-7-11-20;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2-18H,27H2,1H3;1-11H.
What are the key properties of CID 159482803?
CID 159482803 has a molecular weight of 560.58 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159482803 is sourced from PubChem (CID 159482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).