tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane

C92H142N4O8Si8 — CID 5256072

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3nc1C=C3)C=C2
InChIInChI=1S/C92H142N4O8Si8/c1-85(2,3)105(25,26)97-69-45-41-46-70(98-106(27,28)86(4,5)6)81(69)77-61-53-55-63(93-61)78(82-71(99-107(29,30)87(7,8)9)47-42-48-72(82)100-108(31,32)88(10,11)12)65-57-59-67(95-65)80(84-75(103-111(37,38)91(19,20)21)51-44-52-76(84)104-112(39,40)92(22,23)24)68-60-58-66(96-68)79(64-56-54-62(77)94-64)83-73(101-109(33,34)89(13,14)15)49-43-50-74(83)102-110(35,36)90(16,17)18/h41-60,93-94H,1-40H3/b77-61+,77-62+,78-63+,78-65+,79-64+,79-66+,80-67+,80-68+
InChIKeyBCPBCKLPAQXNSC-MUWFNOMMSA-N
MW1656.86 g/mol
LogP30.40
Rot. Bonds20

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane (PubChem CID 5256072) has the molecular formula C92H142N4O8Si8 and a molecular weight of 1656.86 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane
PubChem CID5256072
Molecular FormulaC92H142N4O8Si8
Molecular Weight1656.86 g/mol
Exact Mass1654.90
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3nc1C=C3)C=C2
InChIInChI=1S/C92H142N4O8Si8/c1-85(2,3)105(25,26)97-69-45-41-46-70(98-106(27,28)86(4,5)6)81(69)77-61-53-55-63(93-61)78(82-71(99-107(29,30)87(7,8)9)47-42-48-72(82)100-108(31,32)88(10,11)12)65-57-59-67(95-65)80(84-75(103-111(37,38)91(19,20)21)51-44-52-76(84)104-112(39,40)92(22,23)24)68-60-58-66(96-68)79(64-56-54-62(77)94-64)83-73(101-109(33,34)89(13,14)15)49-43-50-74(83)102-110(35,36)90(16,17)18/h41-60,93-94H,1-40H3/b77-61+,77-62+,78-63+,78-65+,79-64+,79-66+,80-67+,80-68+
InChIKeyBCPBCKLPAQXNSC-MUWFNOMMSA-N
XLogP30.40
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001656.86
LogP ≤ 530.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane with MolForge

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Related Compounds

[2-[10,15-bis[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-20-phenyl-21,22-dihydroporphyrin-5-yl]-3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 136898631
CID 135548066
CID 135548066
4-[10,20-bis[2,6-bis(3,3-dimethylbutoxy)phenyl]-15-[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]-N,N-dimethylaniline
CID 137247109
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
10,20-bis(2,6-difluorophenyl)-5,15-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin
CID 11050991
5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
CID 10796407
[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
CID 167499514
1-[3-[10,20-dibromo-15-[3-(1,1-dihydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethane-1,1-diol
CID 162517667
5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 101057335
5,15-bis[2-[10,20-bis[2,6-bis(3,3-dimethylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]ethynyl]-10,20-bis[2,6-bis(3,3-dimethylbutoxy)phenyl]-21,23-dihydroporphyrin
CID 102010506
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane (CID 5256072) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3ccc([nH]3)c(-c3c(O[Si](C)(C)C(C)(C)C)cccc3O[Si](C)(C)C(C)(C)C)c3nc1C=C3)C=C2.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane?
The InChIKey is BCPBCKLPAQXNSC-MUWFNOMMSA-N. The full InChI is InChI=1S/C92H142N4O8Si8/c1-85(2,3)105(25,26)97-69-45-41-46-70(98-106(27,28)86(4,5)6)81(69)77-61-53-55-63(93-61)78(82-71(99-107(29,30)87(7,8)9)47-42-48-72(82)100-108(31,32)88(10,11)12)65-57-59-67(95-65)80(84-75(103-111(37,38)91(19,20)21)51-44-52-76(84)104-112(39,40)92(22,23)24)68-60-58-66(96-68)79(64-56-54-62(77)94-64)83-73(101-109(33,34)89(13,14)15)49-43-50-74(83)102-110(35,36)90(16,17)18/h41-60,93-94H,1-40H3/b77-61+,77-62+,78-63+,78-65+,79-64+,79-66+,80-67+,80-68+.
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane has a molecular weight of 1656.86 g/mol, XLogP of 30.40, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-[10,15,20-tris[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 5256072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).