2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine

C44H48N2Si — CID 18792355

IUPAC2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine
SMILESCC(C)(C)c1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C(C)(C)C)n3)[Si]2(c2ccccc2)C(C)(C)C)n1
InChIInChI=1S/C44H48N2Si/c1-42(2,3)36-29-19-27-34(45-36)40-38(31-21-13-10-14-22-31)39(32-23-15-11-16-24-32)41(35-28-20-30-37(46-35)43(4,5)6)47(40,44(7,8)9)33-25-17-12-18-26-33/h10-30H,1-9H3
InChIKeyFAMGODJAANOJTL-UHFFFAOYSA-N
MW632.97 g/mol
LogP10.84
Rot. Bonds5

About 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine

2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine (PubChem CID 18792355) has the molecular formula C44H48N2Si and a molecular weight of 632.97 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine
PubChem CID18792355
Molecular FormulaC44H48N2Si
Molecular Weight632.97 g/mol
Exact Mass632.36
IUPAC Name2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine
SMILESCC(C)(C)c1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C(C)(C)C)n3)[Si]2(c2ccccc2)C(C)(C)C)n1
InChIInChI=1S/C44H48N2Si/c1-42(2,3)36-29-19-27-34(45-36)40-38(31-21-13-10-14-22-31)39(32-23-15-11-16-24-32)41(35-28-20-30-37(46-35)43(4,5)6)47(40,44(7,8)9)33-25-17-12-18-26-33/h10-30H,1-9H3
InChIKeyFAMGODJAANOJTL-UHFFFAOYSA-N
XLogP10.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.97
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine?
The IUPAC name of 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine (CID 18792355) is 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine.
What is the SMILES notation for 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine?
The canonical SMILES for 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine is CC(C)(C)c1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3cccc(C(C)(C)C)n3)[Si]2(c2ccccc2)C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine?
The InChIKey is FAMGODJAANOJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N2Si/c1-42(2,3)36-29-19-27-34(45-36)40-38(31-21-13-10-14-22-31)39(32-23-15-11-16-24-32)41(35-28-20-30-37(46-35)43(4,5)6)47(40,44(7,8)9)33-25-17-12-18-26-33/h10-30H,1-9H3.
What are the key properties of 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine?
2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine has a molecular weight of 632.97 g/mol, XLogP of 10.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-tert-butyl-5-(6-tert-butyl-2-pyridinyl)-1,3,4-triphenylsilol-2-yl]pyridine is sourced from PubChem (CID 18792355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).