tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane

C42H52N2Si2 — CID 56958696

IUPACtri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccnc1C#Cc1ccccc1C#Cc1ncccc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)29-25-39-19-15-27-43-41(39)23-21-37-17-13-14-18-38(37)22-24-42-40(20-16-28-44-42)26-30-46(34(7)8,35(9)10)36(11)12/h13-20,27-28,31-36H,1-12H3
InChIKeyBUZZBIOFKMEONM-UHFFFAOYSA-N
MW641.06 g/mol
LogP10.42
Rot. Bonds6

About tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane

tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane (PubChem CID 56958696) has the molecular formula C42H52N2Si2 and a molecular weight of 641.06 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
PubChem CID56958696
Molecular FormulaC42H52N2Si2
Molecular Weight641.06 g/mol
Exact Mass640.37
IUPAC Nametri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cccnc1C#Cc1ccccc1C#Cc1ncccc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)29-25-39-19-15-27-43-41(39)23-21-37-17-13-14-18-38(37)22-24-42-40(20-16-28-44-42)26-30-46(34(7)8,35(9)10)36(11)12/h13-20,27-28,31-36H,1-12H3
InChIKeyBUZZBIOFKMEONM-UHFFFAOYSA-N
XLogP10.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.06
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane (CID 56958696) is tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1cccnc1C#Cc1ccccc1C#Cc1ncccc1C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The InChIKey is BUZZBIOFKMEONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)29-25-39-19-15-27-43-41(39)23-21-37-17-13-14-18-38(37)22-24-42-40(20-16-28-44-42)26-30-46(34(7)8,35(9)10)36(11)12/h13-20,27-28,31-36H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane has a molecular weight of 641.06 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 56958696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).