[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane

C56H54Br8N4Si4 — CID 167499514

IUPAC[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(Br)c(-c2c3nc(c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4nc(c(-c5c(Br)cc([Si](C)(C)C)cc5Br)c5ccc2[nH]5)C=C4)C=C3)c(Br)c1
InChIInChI=1S/C56H54Br8N4Si4/c1-69(2,3)29-21-33(57)49(34(58)22-29)53-41-13-15-43(65-41)54(50-35(59)23-30(24-36(50)60)70(4,5)6)45-17-19-47(67-45)56(52-39(63)27-32(28-40(52)64)72(10,11)12)48-20-18-46(68-48)55(44-16-14-42(53)66-44)51-37(61)25-31(26-38(51)62)71(7,8)9/h13-28,65,68H,1-12H3/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+
InChIKeyLVWCHBJUPLVUFQ-RNWYWIMESA-N
MW1534.65 g/mol
LogP19.60
Rot. Bonds8

About [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane

[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane (PubChem CID 167499514) has the molecular formula C56H54Br8N4Si4 and a molecular weight of 1534.65 g/mol. Its IUPAC name is [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
PubChem CID167499514
Molecular FormulaC56H54Br8N4Si4
Molecular Weight1534.65 g/mol
Exact Mass1525.69
IUPAC Name[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(Br)c(-c2c3nc(c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4nc(c(-c5c(Br)cc([Si](C)(C)C)cc5Br)c5ccc2[nH]5)C=C4)C=C3)c(Br)c1
InChIInChI=1S/C56H54Br8N4Si4/c1-69(2,3)29-21-33(57)49(34(58)22-29)53-41-13-15-43(65-41)54(50-35(59)23-30(24-36(50)60)70(4,5)6)45-17-19-47(67-45)56(52-39(63)27-32(28-40(52)64)72(10,11)12)48-20-18-46(68-48)55(44-16-14-42(53)66-44)51-37(61)25-31(26-38(51)62)71(7,8)9/h13-28,65,68H,1-12H3/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+
InChIKeyLVWCHBJUPLVUFQ-RNWYWIMESA-N
XLogP19.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.65
LogP ≤ 519.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
CID 59773241
5,10,15-tris(2,6-dibromophenyl)-22,23-dihydro-21H-corrin
CID 137266912
2,6-dibromo-4-[10,15,20-tris(3,5-dibromo-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 86280290
5-bromo-10,15,20-tris(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135545252
5,10,15,20-tetrakis(4-bromo-2,6-dichlorophenyl)-21,22-dihydroporphyrin
CID 10796407
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
N,N,3,5-tetramethyl-4-[10,15,20-tris[4-(dimethylamino)-2,6-dimethylphenyl]-21,23-dihydroporphyrin-5-yl]aniline
CID 137081692
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
5,10,15,20-tetrakis(3-methylperoxyphenyl)-21,23-dihydroporphyrin
CID 137303704
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The IUPAC name of [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane (CID 167499514) is [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The canonical SMILES for [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1cc(Br)c(-c2c3nc(c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4nc(c(-c5c(Br)cc([Si](C)(C)C)cc5Br)c5ccc2[nH]5)C=C4)C=C3)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The InChIKey is LVWCHBJUPLVUFQ-RNWYWIMESA-N. The full InChI is InChI=1S/C56H54Br8N4Si4/c1-69(2,3)29-21-33(57)49(34(58)22-29)53-41-13-15-43(65-41)54(50-35(59)23-30(24-36(50)60)70(4,5)6)45-17-19-47(67-45)56(52-39(63)27-32(28-40(52)64)72(10,11)12)48-20-18-46(68-48)55(44-16-14-42(53)66-44)51-37(61)25-31(26-38(51)62)71(7,8)9/h13-28,65,68H,1-12H3/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+.
What are the key properties of [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
[3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane has a molecular weight of 1534.65 g/mol, XLogP of 19.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[10,15,20-tris(2,6-dibromo-4-trimethylsilylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 167499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).