germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)

C76H110GeN8O10Si2 — CID 91866752

IUPACgermanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)
SMILESCCCCOc1ccc(OCCCC)c2c1-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1c(OCCCC)ccc(OCCCC)c51)c1c(OCCCC)ccc(OCCCC)c41)-c1c(OCCCC)ccc(OCCCC)c1-3.CC[Si]([O-])(CC)CC.CC[Si]([O-])(CC)CC.[Ge+4]
InChIInChI=1S/C64H80N8O8.2C6H15OSi.Ge/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;2*1-4-8(7,5-2)6-3;/h25-32H,9-24,33-40H2,1-8H3;2*4-6H2,1-3H3;/q-2;2*-1;+4
InChIKeyZCFPFMTWNCVRMT-UHFFFAOYSA-N
MW1424.54 g/mol
LogP17.88
Rot. Bonds38

About germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)

germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) (PubChem CID 91866752) has the molecular formula C76H110GeN8O10Si2 and a molecular weight of 1424.54 g/mol. Its IUPAC name is germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane).

Molecular Properties

Compound Namegermanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)
PubChem CID91866752
Molecular FormulaC76H110GeN8O10Si2
Molecular Weight1424.54 g/mol
Exact Mass1424.71
IUPAC Namegermanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)
SMILESCCCCOc1ccc(OCCCC)c2c1-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1c(OCCCC)ccc(OCCCC)c51)c1c(OCCCC)ccc(OCCCC)c41)-c1c(OCCCC)ccc(OCCCC)c1-3.CC[Si]([O-])(CC)CC.CC[Si]([O-])(CC)CC.[Ge+4]
InChIInChI=1S/C64H80N8O8.2C6H15OSi.Ge/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;2*1-4-8(7,5-2)6-3;/h25-32H,9-24,33-40H2,1-8H3;2*4-6H2,1-3H3;/q-2;2*-1;+4
InChIKeyZCFPFMTWNCVRMT-UHFFFAOYSA-N
XLogP17.88
TPSA225.50 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001424.54
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)?
The IUPAC name of germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) (CID 91866752) is germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane).
What is the SMILES notation for germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)?
The canonical SMILES for germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) is CCCCOc1ccc(OCCCC)c2c1-c1nc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1c(OCCCC)ccc(OCCCC)c51)c1c(OCCCC)ccc(OCCCC)c41)-c1c(OCCCC)ccc(OCCCC)c1-3.CC[Si]([O-])(CC)CC.CC[Si]([O-])(CC)CC.[Ge+4].
What is the InChIKey of germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)?
The InChIKey is ZCFPFMTWNCVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H80N8O8.2C6H15OSi.Ge/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;2*1-4-8(7,5-2)6-3;/h25-32H,9-24,33-40H2,1-8H3;2*4-6H2,1-3H3;/q-2;2*-1;+4.
What are the key properties of germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane)?
germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) has a molecular weight of 1424.54 g/mol, XLogP of 17.88, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for germanium(4+);5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;bis(triethyl(oxido)silane) is sourced from PubChem (CID 91866752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).