bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)

C162H240N18Si6+6 — CID 160547488

IUPACbis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)
SMILESCCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2
InChIInChI=1S/2C29H44N3Si.2C27H40N3Si.2C25H36N3Si/c2*1-9-31(10-2)22-14-16-24-26(20-22)33(28(3,4)5,29(6,7)8)27-21-23(15-17-25(27)30-24)32-18-12-11-13-19-32;2*1-7-29(8-2)22-12-14-24-26(18-22)31(20(3)4,21(5)6)27-19-23(13-15-25(27)28-24)30-16-10-9-11-17-30;2*1-5-27(6-2)20-12-14-22-24(18-20)29(7-3,8-4)25-19-21(13-15-23(25)26-22)28-16-10-9-11-17-28/h2*14-17,20-21H,9-13,18-19H2,1-8H3;2*12-15,18-21H,7-11,16-17H2,1-6H3;2*12-15,18-19H,5-11,16-17H2,1-4H3/q6*+1
InChIKeyRDSWGYXIYDIFFO-UHFFFAOYSA-N
MW2608.34 g/mol
LogP34.60
Rot. Bonds26

About bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)

bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) (PubChem CID 160547488) has the molecular formula C162H240N18Si6+6 and a molecular weight of 2608.34 g/mol. Its IUPAC name is bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine).

Molecular Properties

Compound Namebis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)
PubChem CID160547488
Molecular FormulaC162H240N18Si6+6
Molecular Weight2608.34 g/mol
Exact Mass2605.79
IUPAC Namebis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)
SMILESCCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2
InChIInChI=1S/2C29H44N3Si.2C27H40N3Si.2C25H36N3Si/c2*1-9-31(10-2)22-14-16-24-26(20-22)33(28(3,4)5,29(6,7)8)27-21-23(15-17-25(27)30-24)32-18-12-11-13-19-32;2*1-7-29(8-2)22-12-14-24-26(18-22)31(20(3)4,21(5)6)27-19-23(13-15-25(27)28-24)30-16-10-9-11-17-30;2*1-5-27(6-2)20-12-14-22-24(18-20)29(7-3,8-4)25-19-21(13-15-23(25)26-22)28-16-10-9-11-17-28/h2*14-17,20-21H,9-13,18-19H2,1-8H3;2*12-15,18-21H,7-11,16-17H2,1-6H3;2*12-15,18-19H,5-11,16-17H2,1-4H3/q6*+1
InChIKeyRDSWGYXIYDIFFO-UHFFFAOYSA-N
XLogP34.60
TPSA111.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002608.34
LogP ≤ 534.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)?
The IUPAC name of bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) (CID 160547488) is bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine).
What is the SMILES notation for bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)?
The canonical SMILES for bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) is CCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)(C)C)(C(C)(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](C(C)C)(C(C)C)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2.CCN(CC)c1ccc2c(c1)[Si](CC)(CC)C1=CC(=[N+]3CCCCC3)C=CC1=N2.
What is the InChIKey of bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)?
The InChIKey is RDSWGYXIYDIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H44N3Si.2C27H40N3Si.2C25H36N3Si/c2*1-9-31(10-2)22-14-16-24-26(20-22)33(28(3,4)5,29(6,7)8)27-21-23(15-17-25(27)30-24)32-18-12-11-13-19-32;2*1-7-29(8-2)22-12-14-24-26(18-22)31(20(3)4,21(5)6)27-19-23(13-15-25(27)28-24)30-16-10-9-11-17-30;2*1-5-27(6-2)20-12-14-22-24(18-20)29(7-3,8-4)25-19-21(13-15-23(25)26-22)28-16-10-9-11-17-28/h2*14-17,20-21H,9-13,18-19H2,1-8H3;2*12-15,18-21H,7-11,16-17H2,1-6H3;2*12-15,18-19H,5-11,16-17H2,1-4H3/q6*+1.
What are the key properties of bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine)?
bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) has a molecular weight of 2608.34 g/mol, XLogP of 34.60, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10,10-ditert-butyl-N,N-diethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine);bis(N,N-diethyl-2-piperidin-1-ium-1-ylidene-10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-8-amine);bis(N,N,10,10-tetraethyl-2-piperidin-1-ium-1-ylidenebenzo[b][1,4]benzazasilin-8-amine) is sourced from PubChem (CID 160547488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).