CID 12985165

C38H54N4Si3 — CID 12985165

IUPAC—
SMILESCN(C)Cc1ccccc1[Si](c1ccccc1CN(C)C)[Si](C)(C)[Si](c1ccccc1CN(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C38H54N4Si3/c1-39(2)27-31-19-11-15-23-35(31)43(36-24-16-12-20-32(36)28-40(3)4)45(9,10)44(37-25-17-13-21-33(37)29-41(5)6)38-26-18-14-22-34(38)30-42(7)8/h11-26H,27-30H2,1-10H3
InChIKeyQLCNVOYAXJZTLI-UHFFFAOYSA-N
MW651.14 g/mol
LogP3.72
Rot. Bonds14

About CID 12985165

CID 12985165 (PubChem CID 12985165) has the molecular formula C38H54N4Si3 and a molecular weight of 651.14 g/mol.

Molecular Properties

Compound NameCID 12985165
PubChem CID12985165
Molecular FormulaC38H54N4Si3
Molecular Weight651.14 g/mol
Exact Mass650.37
IUPAC Name—
SMILESCN(C)Cc1ccccc1[Si](c1ccccc1CN(C)C)[Si](C)(C)[Si](c1ccccc1CN(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C38H54N4Si3/c1-39(2)27-31-19-11-15-23-35(31)43(36-24-16-12-20-32(36)28-40(3)4)45(9,10)44(37-25-17-13-21-33(37)29-41(5)6)38-26-18-14-22-34(38)30-42(7)8/h11-26H,27-30H2,1-10H3
InChIKeyQLCNVOYAXJZTLI-UHFFFAOYSA-N
XLogP3.72
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.14
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
CID 12985169
CID 12985169
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
CID 138974220
CID 138974220
1-[2-[chloro-[chloro(dimethyl)silyl]-[2-[(dimethylamino)methyl]phenyl]silyl]phenyl]-N,N-dimethylmethanamine
CID 12987217
N,N-dimethyl-1-(2-trichlorosilylphenyl)methanamine
CID 15371807
1-(2-diethylgallanylphenyl)-N,N-dimethylmethanamine
CID 88509359
CID 12985170
CID 12985170
1-[2-[bis(trimethylsilyl)methyl-[2-[(dimethylamino)methyl]phenyl]phosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15436117
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421

Frequently Asked Questions

What is the IUPAC name of CID 12985165?
The IUPAC name of CID 12985165 (CID 12985165) is not available.
What is the SMILES notation for CID 12985165?
The canonical SMILES for CID 12985165 is CN(C)Cc1ccccc1[Si](c1ccccc1CN(C)C)[Si](C)(C)[Si](c1ccccc1CN(C)C)c1ccccc1CN(C)C.
What is the InChIKey of CID 12985165?
The InChIKey is QLCNVOYAXJZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N4Si3/c1-39(2)27-31-19-11-15-23-35(31)43(36-24-16-12-20-32(36)28-40(3)4)45(9,10)44(37-25-17-13-21-33(37)29-41(5)6)38-26-18-14-22-34(38)30-42(7)8/h11-26H,27-30H2,1-10H3.
What are the key properties of CID 12985165?
CID 12985165 has a molecular weight of 651.14 g/mol, XLogP of 3.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12985165 is sourced from PubChem (CID 12985165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).