[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene

C42H46N2Si3 — CID 102053831

IUPAC[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene
SMILESCC(C)[Si](N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C42H46N2Si3/c1-35(2)47(36(3)4,43-45(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)44-46(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-36,43-44H,1-4H3
InChIKeyPZVCQBMKTNGFKD-UHFFFAOYSA-N
MW663.10 g/mol
LogP5.76
Rot. Bonds12

About [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene

[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene (PubChem CID 102053831) has the molecular formula C42H46N2Si3 and a molecular weight of 663.10 g/mol. Its IUPAC name is [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene.

Molecular Properties

Compound Name[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene
PubChem CID102053831
Molecular FormulaC42H46N2Si3
Molecular Weight663.10 g/mol
Exact Mass662.30
IUPAC Name[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene
SMILESCC(C)[Si](N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C42H46N2Si3/c1-35(2)47(36(3)4,43-45(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)44-46(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-36,43-44H,1-4H3
InChIKeyPZVCQBMKTNGFKD-UHFFFAOYSA-N
XLogP5.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.10
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexaphenylcyclotrisiloxane
CID 68187
Trimethyl pentaphenyl trisiloxane
CID 76925
Octaphenylcyclotetrasilane
CID 70595
Hexaphenyldisilane
CID 74059
1,3,3,5-Tetramethyl-1,1,5,5-tetraphenyltrisiloxane
CID 19882
Tetraphenyl dimethyl disiloxane
CID 13121
2,2,4,4,6,6-Hexaphenylcyclotrisilazane
CID 635734
1,2-Dimethyl-1,1,2,2-tetraphenyldisilane
CID 70895
Disiloxane, 1,1,1,3,3,3-hexaphenyl-
CID 74587
Cyclopentasiloxane, 2,4,6,8,10-pentamethyl-2,4,6,8,10-pentaphenyl-
CID 6429737
1-Methyl-N-(methyldiphenylsilyl)-1,1-diphenylsilylamine
CID 81957
Tetramethyl hexaphenyl tetrasiloxane
CID 38026

Frequently Asked Questions

What is the IUPAC name of [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene?
The IUPAC name of [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene (CID 102053831) is [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene.
What is the SMILES notation for [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene?
The canonical SMILES for [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene is CC(C)[Si](N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene?
The InChIKey is PZVCQBMKTNGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N2Si3/c1-35(2)47(36(3)4,43-45(37-23-11-5-12-24-37,38-25-13-6-14-26-38)39-27-15-7-16-28-39)44-46(40-29-17-8-18-30-40,41-31-19-9-20-32-41)42-33-21-10-22-34-42/h5-36,43-44H,1-4H3.
What are the key properties of [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene?
[[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene has a molecular weight of 663.10 g/mol, XLogP of 5.76, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[[di(propan-2-yl)-(triphenylsilylamino)silyl]amino]-diphenylsilyl]benzene is sourced from PubChem (CID 102053831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).