[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane

C60H52Si2 — CID 158270158

IUPAC[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane
SMILESC[SiH](C)Cc1ccc(-c2ccc3c4ccccc4c4ccc(-c5ccc([Si](C)(C)C)c(-c6cccc(-c7ccccc7)c6)c5)cc4c3c2)cc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H52Si2/c1-61(2)40-51-27-26-45(36-56(51)49-22-14-20-43(34-49)41-16-8-6-9-17-41)46-28-31-54-52-24-12-13-25-53(52)55-32-29-47(39-59(55)58(54)38-46)48-30-33-60(62(3,4)5)57(37-48)50-23-15-21-44(35-50)42-18-10-7-11-19-42/h6-39,61H,40H2,1-5H3
InChIKeyOMMWQOUQLTZPCE-UHFFFAOYSA-N
MW829.25 g/mol
LogP16.26
Rot. Bonds9

About [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane

[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane (PubChem CID 158270158) has the molecular formula C60H52Si2 and a molecular weight of 829.25 g/mol. Its IUPAC name is [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane
PubChem CID158270158
Molecular FormulaC60H52Si2
Molecular Weight829.25 g/mol
Exact Mass828.36
IUPAC Name[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane
SMILESC[SiH](C)Cc1ccc(-c2ccc3c4ccccc4c4ccc(-c5ccc([Si](C)(C)C)c(-c6cccc(-c7ccccc7)c6)c5)cc4c3c2)cc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C60H52Si2/c1-61(2)40-51-27-26-45(36-56(51)49-22-14-20-43(34-49)41-16-8-6-9-17-41)46-28-31-54-52-24-12-13-25-53(52)55-32-29-47(39-59(55)58(54)38-46)48-30-33-60(62(3,4)5)57(37-48)50-23-15-21-44(35-50)42-18-10-7-11-19-42/h6-39,61H,40H2,1-5H3
InChIKeyOMMWQOUQLTZPCE-UHFFFAOYSA-N
XLogP16.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.25
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-phenyl-2-(5-phenyl-2-trimethylsilylphenyl)phenyl]silane
CID 138968702
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 159696101
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-(4-heptacyclo[24.8.0.02,7.08,13.014,19.020,25.027,32]tetratriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29,31,33-heptadecaenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134577277

Frequently Asked Questions

What is the IUPAC name of [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane?
The IUPAC name of [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane (CID 158270158) is [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane?
The canonical SMILES for [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane is C[SiH](C)Cc1ccc(-c2ccc3c4ccccc4c4ccc(-c5ccc([Si](C)(C)C)c(-c6cccc(-c7ccccc7)c6)c5)cc4c3c2)cc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane?
The InChIKey is OMMWQOUQLTZPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52Si2/c1-61(2)40-51-27-26-45(36-56(51)49-22-14-20-43(34-49)41-16-8-6-9-17-41)46-28-31-54-52-24-12-13-25-53(52)55-32-29-47(39-59(55)58(54)38-46)48-30-33-60(62(3,4)5)57(37-48)50-23-15-21-44(35-50)42-18-10-7-11-19-42/h6-39,61H,40H2,1-5H3.
What are the key properties of [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane?
[4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane has a molecular weight of 829.25 g/mol, XLogP of 16.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[11-[4-(dimethylsilylmethyl)-3-(3-phenylphenyl)phenyl]triphenylen-2-yl]-2-(3-phenylphenyl)phenyl]-trimethylsilane is sourced from PubChem (CID 158270158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).