CID 162009695

C36H37BN2Si — CID 162009695

IUPAC—
SMILESCC=CCC(C)[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C14H11B/c1-3-4-11-19(2)25-22(24-17-16-23-18-24,20-12-7-5-8-13-20)21-14-9-6-10-15-21;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h3-10,12-19H,11,25H2,1-2H3;1-11H
InChIKeyLMBVPXKQKBPPTN-UHFFFAOYSA-N
MW536.60 g/mol
LogP7.82
Rot. Bonds9

About CID 162009695

CID 162009695 (PubChem CID 162009695) has the molecular formula C36H37BN2Si and a molecular weight of 536.60 g/mol.

Molecular Properties

Compound NameCID 162009695
PubChem CID162009695
Molecular FormulaC36H37BN2Si
Molecular Weight536.60 g/mol
Exact Mass536.28
IUPAC Name—
SMILESCC=CCC(C)[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.[B]C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2Si.C14H11B/c1-3-4-11-19(2)25-22(24-17-16-23-18-24,20-12-7-5-8-13-20)21-14-9-6-10-15-21;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h3-10,12-19H,11,25H2,1-2H3;1-11H
InChIKeyLMBVPXKQKBPPTN-UHFFFAOYSA-N
XLogP7.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hex-4-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158037076
CID 158188300
CID 158188300
CID 159482803
CID 159482803
CID 158866073
CID 158866073
CID 161272912
CID 161272912
CID 159970432
CID 159970432
[imidazol-1-yl(diphenyl)methyl]-(3-methylbut-1-enyl)silane;triphenylborane
CID 159254824
hex-2-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
CID 158066396
CID 161292022
CID 161292022
CID 88514955
CID 88514955
ethenyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(2-methylbut-2-enyl)silane
CID 173368184
cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(3-methylpent-3-enyl)silane
CID 158251515

Frequently Asked Questions

What is the IUPAC name of CID 162009695?
The IUPAC name of CID 162009695 (CID 162009695) is not available.
What is the SMILES notation for CID 162009695?
The canonical SMILES for CID 162009695 is CC=CCC(C)[SiH2]C(c1ccccc1)(c1ccccc1)n1ccnc1.[B]C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 162009695?
The InChIKey is LMBVPXKQKBPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2Si.C14H11B/c1-3-4-11-19(2)25-22(24-17-16-23-18-24,20-12-7-5-8-13-20)21-14-9-6-10-15-21;15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h3-10,12-19H,11,25H2,1-2H3;1-11H.
What are the key properties of CID 162009695?
CID 162009695 has a molecular weight of 536.60 g/mol, XLogP of 7.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162009695 is sourced from PubChem (CID 162009695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).