bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin

C54H66Si2Sn — CID 139112012

IUPACbis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin
SMILESCc1cc(C)c(-c2cc([Si](C)(C)C)cc(-c3c(C)cc(C)cc3C)c2[Sn]c2c(-c3c(C)cc(C)cc3C)cc([Si](C)(C)C)cc2-c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C27H33Si.Sn/c2*1-17-10-19(3)26(20(4)11-17)23-14-24(16-25(15-23)28(7,8)9)27-21(5)12-18(2)13-22(27)6;/h2*10-13,15-16H,1-9H3;
InChIKeyMMDPSOFDUBCGFV-UHFFFAOYSA-N
MW890.00 g/mol
LogP12.80
Rot. Bonds8

About bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin

bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin (PubChem CID 139112012) has the molecular formula C54H66Si2Sn and a molecular weight of 890.00 g/mol. Its IUPAC name is bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin.

Molecular Properties

Compound Namebis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin
PubChem CID139112012
Molecular FormulaC54H66Si2Sn
Molecular Weight890.00 g/mol
Exact Mass890.37
IUPAC Namebis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin
SMILESCc1cc(C)c(-c2cc([Si](C)(C)C)cc(-c3c(C)cc(C)cc3C)c2[Sn]c2c(-c3c(C)cc(C)cc3C)cc([Si](C)(C)C)cc2-c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/2C27H33Si.Sn/c2*1-17-10-19(3)26(20(4)11-17)23-14-24(16-25(15-23)28(7,8)9)27-21(5)12-18(2)13-22(27)6;/h2*10-13,15-16H,1-9H3;
InChIKeyMMDPSOFDUBCGFV-UHFFFAOYSA-N
XLogP12.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.00
LogP ≤ 512.80
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

1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane
CID 88962741
lithium [2,6-bis(2,4,6-trimethylphenyl)phenyl]-trimethylsilylazanide
CID 101398380
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357
CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
(2,4,6-trimethylphenyl)-trimethylsilylphosphanide
CID 12736255
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387

Frequently Asked Questions

What is the IUPAC name of bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin?
The IUPAC name of bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin (CID 139112012) is bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin.
What is the SMILES notation for bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin?
The canonical SMILES for bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin is Cc1cc(C)c(-c2cc([Si](C)(C)C)cc(-c3c(C)cc(C)cc3C)c2[Sn]c2c(-c3c(C)cc(C)cc3C)cc([Si](C)(C)C)cc2-c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin?
The InChIKey is MMDPSOFDUBCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33Si.Sn/c2*1-17-10-19(3)26(20(4)11-17)23-14-24(16-25(15-23)28(7,8)9)27-21(5)12-18(2)13-22(27)6;/h2*10-13,15-16H,1-9H3;.
What are the key properties of bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin?
bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin has a molecular weight of 890.00 g/mol, XLogP of 12.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-bis(2,4,6-trimethylphenyl)-4-trimethylsilylphenyl]tin is sourced from PubChem (CID 139112012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).