CID 159970432

C35H37BN2Si — CID 159970432

IUPAC—
SMILESCCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C13H11B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-18H,3-4,25H2,1-2H3;1-10,13H
InChIKeyMUNRSVIEOGHSSG-UHFFFAOYSA-N
MW524.59 g/mol
LogP7.45
Rot. Bonds9

About CID 159970432

CID 159970432 (PubChem CID 159970432) has the molecular formula C35H37BN2Si and a molecular weight of 524.59 g/mol.

Molecular Properties

Compound NameCID 159970432
PubChem CID159970432
Molecular FormulaC35H37BN2Si
Molecular Weight524.59 g/mol
Exact Mass524.28
IUPAC Name—
SMILESCCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C13H11B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-18H,3-4,25H2,1-2H3;1-10,13H
InChIKeyMUNRSVIEOGHSSG-UHFFFAOYSA-N
XLogP7.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 57.45
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

CID 161272912
CID 161272912
cyclopropyl(diphenyl)borane;2-ethylbut-1-enyl-[imidazol-1-yl(diphenyl)methyl]silane
CID 161030074
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CID 161292022
CID 158070521
CID 158070521
CID 159427605
CID 159427605
CID 160574681
CID 160574681
CID 173368162
CID 173368162
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
hex-4-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158037076
CID 158188300
CID 158188300
CID 162009695
CID 162009695
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824

Frequently Asked Questions

What is the IUPAC name of CID 159970432?
The IUPAC name of CID 159970432 (CID 159970432) is not available.
What is the SMILES notation for CID 159970432?
The canonical SMILES for CID 159970432 is CCC(=C[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1)CC.[B]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 159970432?
The InChIKey is MUNRSVIEOGHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C13H11B/c1-3-19(4-2)17-25-22(24-16-15-23-18-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-18H,3-4,25H2,1-2H3;1-10,13H.
What are the key properties of CID 159970432?
CID 159970432 has a molecular weight of 524.59 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159970432 is sourced from PubChem (CID 159970432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).