Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine

C88H104GeN8O4Si2 — CID 137331263

IUPAC—
SMILESc1ccc(C(CCCCCCCCCCCCCCCO[SiH2]O[Ge]O[SiH2]OCCCCCCCCCCCCCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/C56H86GeO4Si2.C32H18N8/c1(3-7-11-15-19-35-47-55(51-39-27-23-28-40-51)52-41-29-24-30-42-52)5-9-13-17-21-37-49-58-62-60-57-61-63-59-50-38-22-18-14-10-6-2-4-8-12-16-20-36-48-56(53-43-31-25-32-44-53)54-45-33-26-34-46-54;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h23-34,39-46,55-56H,1-22,35-38,47-50,62-63H2;1-16H,(H2,33,34,35,36,37,38,39,40)
InChIKeyHLYAYXKXPWUDIO-UHFFFAOYSA-N
MW1466.63 g/mol
LogP22.04
Rot. Bonds42

About Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine

Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine (PubChem CID 137331263) has the molecular formula C88H104GeN8O4Si2 and a molecular weight of 1466.63 g/mol.

Molecular Properties

Compound NameBis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine
PubChem CID137331263
Molecular FormulaC88H104GeN8O4Si2
Molecular Weight1466.63 g/mol
Exact Mass1466.69
IUPAC Name—
SMILESc1ccc(C(CCCCCCCCCCCCCCCO[SiH2]O[Ge]O[SiH2]OCCCCCCCCCCCCCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21
InChIInChI=1S/C56H86GeO4Si2.C32H18N8/c1(3-7-11-15-19-35-47-55(51-39-27-23-28-40-51)52-41-29-24-30-42-52)5-9-13-17-21-37-49-58-62-60-57-61-63-59-50-38-22-18-14-10-6-2-4-8-12-16-20-36-48-56(53-43-31-25-32-44-53)54-45-33-26-34-46-54;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h23-34,39-46,55-56H,1-22,35-38,47-50,62-63H2;1-16H,(H2,33,34,35,36,37,38,39,40)
InChIKeyHLYAYXKXPWUDIO-UHFFFAOYSA-N
XLogP22.04
TPSA145.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds42
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001466.63
LogP ≤ 522.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine with MolForge

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

Launch Full Analysis

Related Compounds

Phthalocyanine
CID 86280045
Manganese,[29H,31H-phthalocyaninato(2(-))-N<29>,N<30>,N<31>,N<32>](SP-4-1)-
CID 135702311
Copper monochlorophthalocyanine
CID 138394853
Phthalocyanine Tin(IV) Dichloride
CID 136342853
29H,31H-Phthalocyanine, 2,9,16,23-tetraphenyl-
CID 16180974
2,11,20,29,37,38,39,40-Octazanonacyclo[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(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
CID 136077039
Phthalocyanine vanadyl
CID 136335840
Dehydrophthalocyanine
CID 129638085
Fluorophthalocyanine
CID 129672990
2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene
CID 8979
31h-Phthalocyanine
CID 5282330
2,9,16,23-Tetra-t-butyl-29h-31h-phthalocyanine
CID 5884722

Frequently Asked Questions

What is the IUPAC name of Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine?
The IUPAC name of Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine (CID 137331263) is not available.
What is the SMILES notation for Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine?
The canonical SMILES for Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine is c1ccc(C(CCCCCCCCCCCCCCCO[SiH2]O[Ge]O[SiH2]OCCCCCCCCCCCCCCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.
What is the InChIKey of Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine?
The InChIKey is HLYAYXKXPWUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H86GeO4Si2.C32H18N8/c1(3-7-11-15-19-35-47-55(51-39-27-23-28-40-51)52-41-29-24-30-42-52)5-9-13-17-21-37-49-58-62-60-57-61-63-59-50-38-22-18-14-10-6-2-4-8-12-16-20-36-48-56(53-43-31-25-32-44-53)54-45-33-26-34-46-54;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h23-34,39-46,55-56H,1-22,35-38,47-50,62-63H2;1-16H,(H2,33,34,35,36,37,38,39,40).
What are the key properties of Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine?
Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine has a molecular weight of 1466.63 g/mol, XLogP of 22.04, 42 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(diphenylhexadecyloxy-siloxy)germanium phthalocyanine is sourced from PubChem (CID 137331263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).