[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

C80H114N4O6Si6 — CID 136898631

IUPAC[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
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3ccccc3)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/C80H114N4O6Si6/c1-75(2,3)91(19,20)85-62-39-34-40-63(86-92(21,22)76(4,5)6)72(62)69-56-47-45-54(81-56)68(53-37-32-31-33-38-53)55-46-48-57(82-55)70(73-64(87-93(23,24)77(7,8)9)41-35-42-65(73)88-94(25,26)78(10,11)12)59-50-52-61(84-59)71(60-51-49-58(69)83-60)74-66(89-95(27,28)79(13,14)15)43-36-44-67(74)90-96(29,30)80(16,17)18/h31-52,81,83H,1-30H3/b68-54-,68-55-,69-56+,69-58+,70-57+,70-59+,71-60+,71-61+
InChIKeyNCXXKYDVOPSCML-GFJJIJGFSA-N
MW1396.33 g/mol
LogP25.63
Rot. Bonds16

About [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

[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 (PubChem CID 136898631) has the molecular formula C80H114N4O6Si6 and a molecular weight of 1396.33 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID136898631
Molecular FormulaC80H114N4O6Si6
Molecular Weight1396.33 g/mol
Exact Mass1394.74
IUPAC Name[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
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3ccccc3)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/C80H114N4O6Si6/c1-75(2,3)91(19,20)85-62-39-34-40-63(86-92(21,22)76(4,5)6)72(62)69-56-47-45-54(81-56)68(53-37-32-31-33-38-53)55-46-48-57(82-55)70(73-64(87-93(23,24)77(7,8)9)41-35-42-65(73)88-94(25,26)78(10,11)12)59-50-52-61(84-59)71(60-51-49-58(69)83-60)74-66(89-95(27,28)79(13,14)15)43-36-44-67(74)90-96(29,30)80(16,17)18/h31-52,81,83H,1-30H3/b68-54-,68-55-,69-56+,69-58+,70-57+,70-59+,71-60+,71-61+
InChIKeyNCXXKYDVOPSCML-GFJJIJGFSA-N
XLogP25.63
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.33
LogP ≤ 525.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

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
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
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
24-bromo-5-methoxy-2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
CID 136674981
2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30-hexakis-phenyl-34,35,36,37,38,39-hexazaheptacyclo[29.2.1.13,6.19,12.114,17.120,23.125,28]nonatriaconta-1(34),2,4,6,8,10,12(38),13,15,17,19,21,23(36),24,26,28,30,32-octadecaene
CID 177390418
7-bromo-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135414314
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1-c1c2nc(c(-c3ccccc3)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 [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?
The InChIKey is NCXXKYDVOPSCML-GFJJIJGFSA-N. The full InChI is InChI=1S/C80H114N4O6Si6/c1-75(2,3)91(19,20)85-62-39-34-40-63(86-92(21,22)76(4,5)6)72(62)69-56-47-45-54(81-56)68(53-37-32-31-33-38-53)55-46-48-57(82-55)70(73-64(87-93(23,24)77(7,8)9)41-35-42-65(73)88-94(25,26)78(10,11)12)59-50-52-61(84-59)71(60-51-49-58(69)83-60)74-66(89-95(27,28)79(13,14)15)43-36-44-67(74)90-96(29,30)80(16,17)18/h31-52,81,83H,1-30H3/b68-54-,68-55-,69-56+,69-58+,70-57+,70-59+,71-60+,71-61+.
What are the key properties of [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?
[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 has a molecular weight of 1396.33 g/mol, XLogP of 25.63, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 136898631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).