CID 158866073

C40H39BN2Si — CID 158866073

IUPAC—
SMILESCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2Si.C14H11B/c1-2-3-11-22-12-10-17-25(20-22)29-26(28-19-18-27-21-28,23-13-6-4-7-14-23)24-15-8-5-9-16-24;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h4-10,12-21H,2-3,11,29H2,1H3;1-11H
InChIKeyIFMIUHRUZYFOBC-UHFFFAOYSA-N
MW586.66 g/mol
LogP7.71
Rot. Bonds10

About CID 158866073

CID 158866073 (PubChem CID 158866073) has the molecular formula C40H39BN2Si and a molecular weight of 586.66 g/mol.

Molecular Properties

Compound NameCID 158866073
PubChem CID158866073
Molecular FormulaC40H39BN2Si
Molecular Weight586.66 g/mol
Exact Mass586.30
IUPAC Name—
SMILESCCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2Si.C14H11B/c1-2-3-11-22-12-10-17-25(20-22)29-26(28-19-18-27-21-28,23-13-6-4-7-14-23)24-15-8-5-9-16-24;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h4-10,12-21H,2-3,11,29H2,1H3;1-11H
InChIKeyIFMIUHRUZYFOBC-UHFFFAOYSA-N
XLogP7.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.66
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane;triphenylborane
CID 159151143
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
CID 173368039
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-pentylphenyl)silane
CID 160914247
CID 158188300
CID 158188300
CID 159482803
CID 159482803
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-pentylphenyl)silane
CID 173367983
CID 160574681
CID 160574681
CID 162009695
CID 162009695
CID 88515059
CID 88515059
CID 173368162
CID 173368162
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-propoxyphenyl)silane
CID 159224210
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396

Frequently Asked Questions

What is the IUPAC name of CID 158866073?
The IUPAC name of CID 158866073 (CID 158866073) is not available.
What is the SMILES notation for CID 158866073?
The canonical SMILES for CID 158866073 is CCCCc1cccc([SiH2]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.[B]C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 158866073?
The InChIKey is IFMIUHRUZYFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2Si.C14H11B/c1-2-3-11-22-12-10-17-25(20-22)29-26(28-19-18-27-21-28,23-13-6-4-7-14-23)24-15-8-5-9-16-24;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h4-10,12-21H,2-3,11,29H2,1H3;1-11H.
What are the key properties of CID 158866073?
CID 158866073 has a molecular weight of 586.66 g/mol, XLogP of 7.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158866073 is sourced from PubChem (CID 158866073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).