[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane

C62H96O4P2Si8 — CID 19380233

IUPAC[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane
SMILESCOc1cccc(P(=O)(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1-c1c(OC)cccc1P(=O)(c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1
InChIInChI=1S/C62H96O4P2Si8/c1-65-57-29-27-31-59(67(63,45-33-49(69(3,4)5)41-50(34-45)70(6,7)8)46-35-51(71(9,10)11)42-52(36-46)72(12,13)14)61(57)62-58(66-2)30-28-32-60(62)68(64,47-37-53(73(15,16)17)43-54(38-47)74(18,19)20)48-39-55(75(21,22)23)44-56(40-48)76(24,25)26/h27-44H,1-26H3
InChIKeyYWFWGTJXKNTENW-UHFFFAOYSA-N
MW1192.08 g/mol
LogP11.01
Rot. Bonds17

About [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane

[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane (PubChem CID 19380233) has the molecular formula C62H96O4P2Si8 and a molecular weight of 1192.08 g/mol. Its IUPAC name is [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane
PubChem CID19380233
Molecular FormulaC62H96O4P2Si8
Molecular Weight1192.08 g/mol
Exact Mass1190.49
IUPAC Name[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane
SMILESCOc1cccc(P(=O)(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1-c1c(OC)cccc1P(=O)(c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1
InChIInChI=1S/C62H96O4P2Si8/c1-65-57-29-27-31-59(67(63,45-33-49(69(3,4)5)41-50(34-45)70(6,7)8)46-35-51(71(9,10)11)42-52(36-46)72(12,13)14)61(57)62-58(66-2)30-28-32-60(62)68(64,47-37-53(73(15,16)17)43-54(38-47)74(18,19)20)48-39-55(75(21,22)23)44-56(40-48)76(24,25)26/h27-44H,1-26H3
InChIKeyYWFWGTJXKNTENW-UHFFFAOYSA-N
XLogP11.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.08
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane (CID 19380233) is [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane is COc1cccc(P(=O)(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1-c1c(OC)cccc1P(=O)(c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1)c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.
What is the InChIKey of [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is YWFWGTJXKNTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H96O4P2Si8/c1-65-57-29-27-31-59(67(63,45-33-49(69(3,4)5)41-50(34-45)70(6,7)8)46-35-51(71(9,10)11)42-52(36-46)72(12,13)14)61(57)62-58(66-2)30-28-32-60(62)68(64,47-37-53(73(15,16)17)43-54(38-47)74(18,19)20)48-39-55(75(21,22)23)44-56(40-48)76(24,25)26/h27-44H,1-26H3.
What are the key properties of [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane?
[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 1192.08 g/mol, XLogP of 11.01, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 19380233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).