[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane

C38H34Br4N4Si2 — CID 59773241

IUPAC[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(Br)c(-c2c3nc(cc4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c(Br)c1
InChIInChI=1S/C38H34Br4N4Si2/c1-47(2,3)25-17-27(39)35(28(40)18-25)37-31-11-7-21(43-31)15-23-9-13-33(45-23)38(36-29(41)19-26(20-30(36)42)48(4,5)6)34-14-10-24(46-34)16-22-8-12-32(37)44-22/h7-20,43-44H,1-6H3/b21-15-,22-16-,23-15-,24-16-,37-31+,37-32+,38-33+,38-34+
InChIKeyRUWQSWVACBTBKG-BSPYAILQSA-N
MW922.51 g/mol
LogP12.13
Rot. Bonds4

About [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane

[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane (PubChem CID 59773241) has the molecular formula C38H34Br4N4Si2 and a molecular weight of 922.51 g/mol. Its IUPAC name is [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
PubChem CID59773241
Molecular FormulaC38H34Br4N4Si2
Molecular Weight922.51 g/mol
Exact Mass917.91
IUPAC Name[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(Br)c(-c2c3nc(cc4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c(Br)c1
InChIInChI=1S/C38H34Br4N4Si2/c1-47(2,3)25-17-27(39)35(28(40)18-25)37-31-11-7-21(43-31)15-23-9-13-33(45-23)38(36-29(41)19-26(20-30(36)42)48(4,5)6)34-14-10-24(46-34)16-22-8-12-32(37)44-22/h7-20,43-44H,1-6H3/b21-15-,22-16-,23-15-,24-16-,37-31+,37-32+,38-33+,38-34+
InChIKeyRUWQSWVACBTBKG-BSPYAILQSA-N
XLogP12.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.51
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The IUPAC name of [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane (CID 59773241) is [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The canonical SMILES for [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1cc(Br)c(-c2c3nc(cc4ccc([nH]4)c(-c4c(Br)cc([Si](C)(C)C)cc4Br)c4ccc(cc5nc2C=C5)[nH]4)C=C3)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
The InChIKey is RUWQSWVACBTBKG-BSPYAILQSA-N. The full InChI is InChI=1S/C38H34Br4N4Si2/c1-47(2,3)25-17-27(39)35(28(40)18-25)37-31-11-7-21(43-31)15-23-9-13-33(45-23)38(36-29(41)19-26(20-30(36)42)48(4,5)6)34-14-10-24(46-34)16-22-8-12-32(37)44-22/h7-20,43-44H,1-6H3/b21-15-,22-16-,23-15-,24-16-,37-31+,37-32+,38-33+,38-34+.
What are the key properties of [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane?
[3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane has a molecular weight of 922.51 g/mol, XLogP of 12.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[15-(2,6-dibromo-4-trimethylsilylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 59773241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).