benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))

C134H222B2N8O4Si6Th2 — CID 139051406

IUPACbenzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))
SMILESCC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.CC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.COCCOC.COCCOC.[Th+4].[Th+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C33H75N4Si3.2C24H20B.2C6H6.2C4H10O2.2Th/c2*1-25(2)38(26(3)4,27(5)6)34-19-22-37(23-20-35-39(28(7)8,29(9)10)30(11)12)24-21-36-40(31(13)14,32(15)16)33(17)18;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-6-5-3-1;2*1-5-3-4-6-2;;/h2*25-33H,19-24H2,1-18H3;2*1-20H;2*1-6H;2*3-4H2,1-2H3;;/q2*-3;2*-1;;;;;2*+4
InChIKeyKODXIELZUMPKGY-UHFFFAOYSA-N
MW2663.52 g/mol
LogP33.93
Rot. Bonds56

About benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))

benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)) (PubChem CID 139051406) has the molecular formula C134H222B2N8O4Si6Th2 and a molecular weight of 2663.52 g/mol. Its IUPAC name is benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)).

Molecular Properties

Compound Namebenzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))
PubChem CID139051406
Molecular FormulaC134H222B2N8O4Si6Th2
Molecular Weight2663.52 g/mol
Exact Mass2661.70
IUPAC Namebenzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))
SMILESCC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.CC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.COCCOC.COCCOC.[Th+4].[Th+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C33H75N4Si3.2C24H20B.2C6H6.2C4H10O2.2Th/c2*1-25(2)38(26(3)4,27(5)6)34-19-22-37(23-20-35-39(28(7)8,29(9)10)30(11)12)24-21-36-40(31(13)14,32(15)16)33(17)18;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-6-5-3-1;2*1-5-3-4-6-2;;/h2*25-33H,19-24H2,1-18H3;2*1-20H;2*1-6H;2*3-4H2,1-2H3;;/q2*-3;2*-1;;;;;2*+4
InChIKeyKODXIELZUMPKGY-UHFFFAOYSA-N
XLogP33.93
TPSA128.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds56
Heavy Atoms156
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002663.52
LogP ≤ 533.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))?
The IUPAC name of benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)) (CID 139051406) is benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)).
What is the SMILES notation for benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))?
The canonical SMILES for benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)) is CC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.CC(C)[Si]([N-]CCN(CC[N-][Si](C(C)C)(C(C)C)C(C)C)CC[N-][Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.COCCOC.COCCOC.[Th+4].[Th+4].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))?
The InChIKey is KODXIELZUMPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H75N4Si3.2C24H20B.2C6H6.2C4H10O2.2Th/c2*1-25(2)38(26(3)4,27(5)6)34-19-22-37(23-20-35-39(28(7)8,29(9)10)30(11)12)24-21-36-40(31(13)14,32(15)16)33(17)18;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-6-5-3-1;2*1-5-3-4-6-2;;/h2*25-33H,19-24H2,1-18H3;2*1-20H;2*1-6H;2*3-4H2,1-2H3;;/q2*-3;2*-1;;;;;2*+4.
What are the key properties of benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+))?
benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)) has a molecular weight of 2663.52 g/mol, XLogP of 33.93, 56 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2-[bis[2-tri(propan-2-yl)silylazanidylethyl]amino]ethyl-tri(propan-2-yl)silylazanide);bis(1,2-dimethoxyethane);bis(tetraphenylboranuide);bis(thorium(4+)) is sourced from PubChem (CID 139051406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).