lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide

C27H34LiNSi — CID 101398380

IUPAClithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[N-][Si](C)(C)C)c(C)c1.[Li+]
InChIInChI=1S/C27H34NSi.Li/c1-17-13-19(3)25(20(4)14-17)23-11-10-12-24(27(23)28-29(7,8)9)26-21(5)15-18(2)16-22(26)6;/h10-16H,1-9H3;/q-1;+1
InChIKeyXCMPEPUXSKFGLR-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.72
Rot. Bonds4

About lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide

lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide (PubChem CID 101398380) has the molecular formula C27H34LiNSi and a molecular weight of 407.60 g/mol. Its IUPAC name is lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide.

Molecular Properties

Compound Namelithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
PubChem CID101398380
Molecular FormulaC27H34LiNSi
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Namelithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[N-][Si](C)(C)C)c(C)c1.[Li+]
InChIInChI=1S/C27H34NSi.Li/c1-17-13-19(3)25(20(4)14-17)23-11-10-12-24(27(23)28-29(7,8)9)26-21(5)15-18(2)16-22(26)6;/h10-16H,1-9H3;/q-1;+1
InChIKeyXCMPEPUXSKFGLR-UHFFFAOYSA-N
XLogP5.72
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium (2,4,6-trimethylphenyl)-trimethylsilylazanide
CID 12699524
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 137158148
CID 137158148
CID 134905872
CID 134905872
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852
CID 6394929
CID 6394929
CID 139248972
CID 139248972
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
2-[2-[2,3-bis(2,4,6-trimethylphenyl)phenoxy]-6-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 151096565
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892

Frequently Asked Questions

What is the IUPAC name of lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide?
The IUPAC name of lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide (CID 101398380) is lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide.
What is the SMILES notation for lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide?
The canonical SMILES for lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[N-][Si](C)(C)C)c(C)c1.[Li+].
What is the InChIKey of lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide?
The InChIKey is XCMPEPUXSKFGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34NSi.Li/c1-17-13-19(3)25(20(4)14-17)23-11-10-12-24(27(23)28-29(7,8)9)26-21(5)15-18(2)16-22(26)6;/h10-16H,1-9H3;/q-1;+1.
What are the key properties of lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide?
lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide has a molecular weight of 407.60 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide is sourced from PubChem (CID 101398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).