trimethyl-(2-porphyrin-2-ylphenyl)silane

C29H24N4Si — CID 66649989

IUPACtrimethyl-(2-porphyrin-2-ylphenyl)silane
SMILESC[Si](C)(C)c1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C29H24N4Si/c1-34(2,3)29-7-5-4-6-26(29)27-17-25-16-23-11-10-21(31-23)14-19-8-9-20(30-19)15-22-12-13-24(32-22)18-28(27)33-25/h4-18H,1-3H3/b19-14-,20-15-,21-14-,22-15-,23-16-,24-18-,25-16-,28-18-
InChIKeyQEVIWQQBDROBTA-DWWWGMPGSA-N
MW456.63 g/mol
LogP5.65
Rot. Bonds2

About trimethyl-(2-porphyrin-2-ylphenyl)silane

trimethyl-(2-porphyrin-2-ylphenyl)silane (PubChem CID 66649989) has the molecular formula C29H24N4Si and a molecular weight of 456.63 g/mol. Its IUPAC name is trimethyl-(2-porphyrin-2-ylphenyl)silane.

Molecular Properties

Compound Nametrimethyl-(2-porphyrin-2-ylphenyl)silane
PubChem CID66649989
Molecular FormulaC29H24N4Si
Molecular Weight456.63 g/mol
Exact Mass456.18
IUPAC Nametrimethyl-(2-porphyrin-2-ylphenyl)silane
SMILESC[Si](C)(C)c1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C29H24N4Si/c1-34(2,3)29-7-5-4-6-26(29)27-17-25-16-23-11-10-21(31-23)14-19-8-9-20(30-19)15-22-12-13-24(32-22)18-28(27)33-25/h4-18H,1-3H3/b19-14-,20-15-,21-14-,22-15-,23-16-,24-18-,25-16-,28-18-
InChIKeyQEVIWQQBDROBTA-DWWWGMPGSA-N
XLogP5.65
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Fluorophenyl)porphyrin
CID 66835451
3,5,7,8,10-Pentafluoro-2-phenylporphyrin
CID 69927814
2-(2,3,4,5-Tetrafluorophenyl)porphyrin
CID 87661293
2-(2,3,5,6-Tetrafluorophenyl)porphyrin
CID 130297801
2-(2,5-Difluorophenyl)porphyrin
CID 174379618
2-(4-Fluorophenyl)porphyrin
CID 174406586
2-(2,6-Difluorophenyl)porphyrin
CID 175110607
2-(2,4-Difluorophenyl)porphyrin
CID 175556582
2-(3,4,5-Trifluorophenyl)porphyrin
CID 175556587
Trimethyl-(4-phenyl-2-trimethylsilylcyclopenta[b]pyrrol-6-yl)silane
CID 17855762
9-Cyclopenta-1,3-dien-1-yl-3,3-dimethyl-8-phenyl-7-aza-3-silatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene
CID 57028388
2,3-Diphenylporphyrin
CID 66626626

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-porphyrin-2-ylphenyl)silane?
The IUPAC name of trimethyl-(2-porphyrin-2-ylphenyl)silane (CID 66649989) is trimethyl-(2-porphyrin-2-ylphenyl)silane.
What is the SMILES notation for trimethyl-(2-porphyrin-2-ylphenyl)silane?
The canonical SMILES for trimethyl-(2-porphyrin-2-ylphenyl)silane is C[Si](C)(C)c1ccccc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of trimethyl-(2-porphyrin-2-ylphenyl)silane?
The InChIKey is QEVIWQQBDROBTA-DWWWGMPGSA-N. The full InChI is InChI=1S/C29H24N4Si/c1-34(2,3)29-7-5-4-6-26(29)27-17-25-16-23-11-10-21(31-23)14-19-8-9-20(30-19)15-22-12-13-24(32-22)18-28(27)33-25/h4-18H,1-3H3/b19-14-,20-15-,21-14-,22-15-,23-16-,24-18-,25-16-,28-18-.
What are the key properties of trimethyl-(2-porphyrin-2-ylphenyl)silane?
trimethyl-(2-porphyrin-2-ylphenyl)silane has a molecular weight of 456.63 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-porphyrin-2-ylphenyl)silane is sourced from PubChem (CID 66649989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).