1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine

C30H46N2Si2 — CID 14571673

IUPAC1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(=Nc2ccccc2)[Si](C(C)(C)C)(C(C)(C)C)C1=Nc1ccccc1
InChIInChI=1S/C30H46N2Si2/c1-27(2,3)33(28(4,5)6)25(31-23-19-15-13-16-20-23)34(29(7,8)9,30(10,11)12)26(33)32-24-21-17-14-18-22-24/h13-22H,1-12H3/b31-25-,32-26+
InChIKeyQNGJEYQYNPPXCB-IEPGDLOPSA-N
MW490.88 g/mol
LogP9.80
Rot. Bonds2

About 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine

1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine (PubChem CID 14571673) has the molecular formula C30H46N2Si2 and a molecular weight of 490.88 g/mol. Its IUPAC name is 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine.

Molecular Properties

Compound Name1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine
PubChem CID14571673
Molecular FormulaC30H46N2Si2
Molecular Weight490.88 g/mol
Exact Mass490.32
IUPAC Name1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine
SMILESCC(C)(C)[Si]1(C(C)(C)C)C(=Nc2ccccc2)[Si](C(C)(C)C)(C(C)(C)C)C1=Nc1ccccc1
InChIInChI=1S/C30H46N2Si2/c1-27(2,3)33(28(4,5)6)25(31-23-19-15-13-16-20-23)34(29(7,8)9,30(10,11)12)26(33)32-24-21-17-14-18-22-24/h13-22H,1-12H3/b31-25-,32-26+
InChIKeyQNGJEYQYNPPXCB-IEPGDLOPSA-N
XLogP9.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.88
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine?
The IUPAC name of 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine (CID 14571673) is 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine.
What is the SMILES notation for 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine?
The canonical SMILES for 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine is CC(C)(C)[Si]1(C(C)(C)C)C(=Nc2ccccc2)[Si](C(C)(C)C)(C(C)(C)C)C1=Nc1ccccc1.
What is the InChIKey of 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine?
The InChIKey is QNGJEYQYNPPXCB-IEPGDLOPSA-N. The full InChI is InChI=1S/C30H46N2Si2/c1-27(2,3)33(28(4,5)6)25(31-23-19-15-13-16-20-23)34(29(7,8)9,30(10,11)12)26(33)32-24-21-17-14-18-22-24/h13-22H,1-12H3/b31-25-,32-26+.
What are the key properties of 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine?
1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine has a molecular weight of 490.88 g/mol, XLogP of 9.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetratert-butyl-2-N,4-N-diphenyl-1,3-disiletane-2,4-diimine is sourced from PubChem (CID 14571673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).