tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane

C42H52N2Si2 — CID 56958857

IUPACtri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cnccc1C#Cc1cccc(C#Cc2ccncc2C#C[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)26-22-41-29-43-24-20-39(41)18-16-37-14-13-15-38(28-37)17-19-40-21-25-44-30-42(40)23-27-46(34(7)8,35(9)10)36(11)12/h13-15,20-21,24-25,28-36H,1-12H3
InChIKeyTZOABHYRSFWCCI-UHFFFAOYSA-N
MW641.06 g/mol
LogP10.42
Rot. Bonds6

About tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane

tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane (PubChem CID 56958857) has the molecular formula C42H52N2Si2 and a molecular weight of 641.06 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
PubChem CID56958857
Molecular FormulaC42H52N2Si2
Molecular Weight641.06 g/mol
Exact Mass640.37
IUPAC Nametri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1cnccc1C#Cc1cccc(C#Cc2ccncc2C#C[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)26-22-41-29-43-24-20-39(41)18-16-37-14-13-15-38(28-37)17-19-40-21-25-44-30-42(40)23-27-46(34(7)8,35(9)10)36(11)12/h13-15,20-21,24-25,28-36H,1-12H3
InChIKeyTZOABHYRSFWCCI-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-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane (CID 56958857) is tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane is CC(C)[Si](C#Cc1cnccc1C#Cc1cccc(C#Cc2ccncc2C#C[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
The InChIKey is TZOABHYRSFWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N2Si2/c1-31(2)45(32(3)4,33(5)6)26-22-41-29-43-24-20-39(41)18-16-37-14-13-15-38(28-37)17-19-40-21-25-44-30-42(40)23-27-46(34(7)8,35(9)10)36(11)12/h13-15,20-21,24-25,28-36H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane?
tri(propan-2-yl)-[2-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-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-[4-[2-[3-[2-[3-[2-tri(propan-2-yl)silylethynyl]-4-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 56958857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).