tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane

C32H48N2Si2 — CID 24809074

IUPACtri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccnc(-c2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccn2)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H48N2Si2/c1-23(2)35(24(3)4,25(5)6)19-15-29-13-17-33-31(21-29)32-22-30(14-18-34-32)16-20-36(26(7)8,27(9)10)28(11)12/h13-14,17-18,21-28H,1-12H3
InChIKeyVXAPBSGTSFRMDT-UHFFFAOYSA-N
MW516.92 g/mol
LogP9.28
Rot. Bonds7

About tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane

tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane (PubChem CID 24809074) has the molecular formula C32H48N2Si2 and a molecular weight of 516.92 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
PubChem CID24809074
Molecular FormulaC32H48N2Si2
Molecular Weight516.92 g/mol
Exact Mass516.34
IUPAC Nametri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1ccnc(-c2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccn2)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H48N2Si2/c1-23(2)35(24(3)4,25(5)6)19-15-29-13-17-33-31(21-29)32-22-30(14-18-34-32)16-20-36(26(7)8,27(9)10)28(11)12/h13-14,17-18,21-28H,1-12H3
InChIKeyVXAPBSGTSFRMDT-UHFFFAOYSA-N
XLogP9.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.92
LogP ≤ 59.28
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-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane (CID 24809074) is tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1ccnc(-c2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccn2)c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane?
The InChIKey is VXAPBSGTSFRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2Si2/c1-23(2)35(24(3)4,25(5)6)19-15-29-13-17-33-31(21-29)32-22-30(14-18-34-32)16-20-36(26(7)8,27(9)10)28(11)12/h13-14,17-18,21-28H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane?
tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane has a molecular weight of 516.92 g/mol, XLogP of 9.28, 7 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-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane is sourced from PubChem (CID 24809074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).