CID 159427605

C35H29BCl2N2Si — CID 159427605

IUPAC—
SMILESClc1ccc(C([SiH2]c2ccccc2)(c2ccc(Cl)cc2)n2ccnc2)cc1.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl2N2Si.C13H11B/c23-19-10-6-17(7-11-19)22(26-15-14-25-16-26,18-8-12-20(24)13-9-18)27-21-4-2-1-3-5-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-16H,27H2;1-10,13H
InChIKeyJMCVRHZFDXSGGE-UHFFFAOYSA-N
MW587.44 g/mol
LogP7.38
Rot. Bonds7

About CID 159427605

CID 159427605 (PubChem CID 159427605) has the molecular formula C35H29BCl2N2Si and a molecular weight of 587.44 g/mol.

Molecular Properties

Compound NameCID 159427605
PubChem CID159427605
Molecular FormulaC35H29BCl2N2Si
Molecular Weight587.44 g/mol
Exact Mass586.16
IUPAC Name—
SMILESClc1ccc(C([SiH2]c2ccccc2)(c2ccc(Cl)cc2)n2ccnc2)cc1.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl2N2Si.C13H11B/c23-19-10-6-17(7-11-19)22(26-15-14-25-16-26,18-8-12-20(24)13-9-18)27-21-4-2-1-3-5-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-16H,27H2;1-10,13H
InChIKeyJMCVRHZFDXSGGE-UHFFFAOYSA-N
XLogP7.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.44
LogP ≤ 57.38
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

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[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
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CID 159482803
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cyclopropyl(diphenyl)borane;[imidazol-1-yl(diphenyl)methyl]-(4-methylphenyl)silane
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CID 158866073
[bis(3-butylphenyl)-imidazol-1-ylmethyl]-phenylsilane;triphenylborane
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hex-4-en-2-yl-[imidazol-1-yl(diphenyl)methyl]silane
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Frequently Asked Questions

What is the IUPAC name of CID 159427605?
The IUPAC name of CID 159427605 (CID 159427605) is not available.
What is the SMILES notation for CID 159427605?
The canonical SMILES for CID 159427605 is Clc1ccc(C([SiH2]c2ccccc2)(c2ccc(Cl)cc2)n2ccnc2)cc1.[B]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 159427605?
The InChIKey is JMCVRHZFDXSGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2Si.C13H11B/c23-19-10-6-17(7-11-19)22(26-15-14-25-16-26,18-8-12-20(24)13-9-18)27-21-4-2-1-3-5-21;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-16H,27H2;1-10,13H.
What are the key properties of CID 159427605?
CID 159427605 has a molecular weight of 587.44 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159427605 is sourced from PubChem (CID 159427605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).