[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane

C41H50O3Si3 — CID 59664304

IUPAC[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c(C)cc(-c5ccccc5)cc4C)cc3)c([Si](C)(C)C)c2)cc1
InChIInChI=1S/C41H50O3Si3/c1-29-25-35(31-15-13-12-14-16-31)26-30(2)40(29)33-17-19-34(20-18-33)41-38(45(6,7)8)27-36(28-39(41)46(9,10)11)32-21-23-37(24-22-32)47(42-3,43-4)44-5/h12-28H,1-11H3
InChIKeyIEAXNKKFZZBVKA-UHFFFAOYSA-N
MW675.11 g/mol
LogP9.15
Rot. Bonds10

About [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane

[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane (PubChem CID 59664304) has the molecular formula C41H50O3Si3 and a molecular weight of 675.11 g/mol. Its IUPAC name is [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane
PubChem CID59664304
Molecular FormulaC41H50O3Si3
Molecular Weight675.11 g/mol
Exact Mass674.31
IUPAC Name[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c(C)cc(-c5ccccc5)cc4C)cc3)c([Si](C)(C)C)c2)cc1
InChIInChI=1S/C41H50O3Si3/c1-29-25-35(31-15-13-12-14-16-31)26-30(2)40(29)33-17-19-34(20-18-33)41-38(45(6,7)8)27-36(28-39(41)46(9,10)11)32-21-23-37(24-22-32)47(42-3,43-4)44-5/h12-28H,1-11H3
InChIKeyIEAXNKKFZZBVKA-UHFFFAOYSA-N
XLogP9.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.11
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[4-[4-[4-[4-phenyl-2,6-bis(trimethylsilyl)phenyl]phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]silane
CID 71121606
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
trimethyl-(5,6,7,8-tetraphenyl-3-trimethylsilylnaphthalen-2-yl)silane
CID 86091759
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
trichloro(phenyl)silane;trimethoxy(phenyl)silane
CID 160808399
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
CID 59024575
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
CID 58722457
trimethyl-[4-phenyl-2-(5-phenyl-2-trimethylsilylphenyl)phenyl]silane
CID 138968702
1-tert-butyl-4-methylbenzene;1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;bis(1,2,4-trimethylbenzene);trimethyl-(4-methylphenyl)silane
CID 157465831

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane?
The IUPAC name of [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane (CID 59664304) is [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane.
What is the SMILES notation for [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane?
The canonical SMILES for [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane is CO[Si](OC)(OC)c1ccc(-c2cc([Si](C)(C)C)c(-c3ccc(-c4c(C)cc(-c5ccccc5)cc4C)cc3)c([Si](C)(C)C)c2)cc1.
What is the InChIKey of [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane?
The InChIKey is IEAXNKKFZZBVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50O3Si3/c1-29-25-35(31-15-13-12-14-16-31)26-30(2)40(29)33-17-19-34(20-18-33)41-38(45(6,7)8)27-36(28-39(41)46(9,10)11)32-21-23-37(24-22-32)47(42-3,43-4)44-5/h12-28H,1-11H3.
What are the key properties of [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane?
[4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane has a molecular weight of 675.11 g/mol, XLogP of 9.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-bis(trimethylsilyl)phenyl]phenyl]-trimethoxysilane is sourced from PubChem (CID 59664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).