(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

C30H31BO2Si — CID 171467542

IUPAC(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C30H31BO2Si/c1-29(2)30(3,4)33-31(32-29)24-15-14-22-28(23-24)34(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-23H,1-4H3/i5D,8D,9D,14D,15D,16D,17D,22D,23D
InChIKeyUMUHVDZWEAZSRP-GIRPJOCQSA-N
MW471.53 g/mol
LogP3.36
Rot. Bonds5

About (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (PubChem CID 171467542) has the molecular formula C30H31BO2Si and a molecular weight of 471.53 g/mol. Its IUPAC name is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.

Molecular Properties

Compound Name(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
PubChem CID171467542
Molecular FormulaC30H31BO2Si
Molecular Weight471.53 g/mol
Exact Mass471.28
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
SMILES[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c2[2H])c([2H])c1[2H]
InChIInChI=1S/C30H31BO2Si/c1-29(2)30(3,4)33-31(32-29)24-15-14-22-28(23-24)34(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-23H,1-4H3/i5D,8D,9D,14D,15D,16D,17D,22D,23D
InChIKeyUMUHVDZWEAZSRP-GIRPJOCQSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177070182
diphenyl-spiro[fluorene-9,9'-thioxanthene]-3'-yl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 176635576
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 164756518
dibenzofuran-2-yl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177089483
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
4,4,5,5-tetramethyl-2-[2,3,4,6-tetradeuterio-5-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 165090359
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 162701572
diphenyl-(2,3,4,6-tetradeuterio-5-methylphenyl)-(3-triphenylsilylphenyl)silane
CID 170660205
1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 177280461
diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177083301
2-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177107419

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The IUPAC name of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane (CID 171467542) is (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane.
What is the SMILES notation for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The canonical SMILES for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is [2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2c([2H])c([2H])c([2H])c(B3OC(C)(C)C(C)(C)O3)c2[2H])c([2H])c1[2H].
What is the InChIKey of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
The InChIKey is UMUHVDZWEAZSRP-GIRPJOCQSA-N. The full InChI is InChI=1S/C30H31BO2Si/c1-29(2)30(3,4)33-31(32-29)24-15-14-22-28(23-24)34(25-16-8-5-9-17-25,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-23H,1-4H3/i5D,8D,9D,14D,15D,16D,17D,22D,23D.
What are the key properties of (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane?
(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane has a molecular weight of 471.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[2,3,4,6-tetradeuterio-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane is sourced from PubChem (CID 171467542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).