4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol

C31H28N4OSi — CID 141175488

IUPAC4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol
SMILESC[Si](C)(C)C#C/C1=C2\C=CC(=N2)/C=c2/cc/c([nH]2)=C/C2=N/C(=C\C3(c4ccc(O)cc4)CC=C1N3)C=C2
InChIInChI=1S/C31H28N4OSi/c1-37(2,3)17-15-28-29-13-10-25(34-29)19-23-7-6-22(32-23)18-24-8-9-26(33-24)20-31(16-14-30(28)35-31)21-4-11-27(36)12-5-21/h4-14,18-20,32,35-36H,16H2,1-3H3/b22-18-,23-19-,26-20-,29-28-
InChIKeyNWPSQFZFNANIRK-FMGZWCIJSA-N
MW500.68 g/mol
LogP4.11
Rot. Bonds1

About 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol

4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol (PubChem CID 141175488) has the molecular formula C31H28N4OSi and a molecular weight of 500.68 g/mol. Its IUPAC name is 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol.

Molecular Properties

Compound Name4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol
PubChem CID141175488
Molecular FormulaC31H28N4OSi
Molecular Weight500.68 g/mol
Exact Mass500.20
IUPAC Name4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol
SMILESC[Si](C)(C)C#C/C1=C2\C=CC(=N2)/C=c2/cc/c([nH]2)=C/C2=N/C(=C\C3(c4ccc(O)cc4)CC=C1N3)C=C2
InChIInChI=1S/C31H28N4OSi/c1-37(2,3)17-15-28-29-13-10-25(34-29)19-23-7-6-22(32-23)18-24-8-9-26(33-24)20-31(16-14-30(28)35-31)21-4-11-27(36)12-5-21/h4-14,18-20,32,35-36H,16H2,1-3H3/b22-18-,23-19-,26-20-,29-28-
InChIKeyNWPSQFZFNANIRK-FMGZWCIJSA-N
XLogP4.11
TPSA72.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.68
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(21,23-dihydro-2H-porphyrin-1-ylmethyl)phenol
CID 175609091
1,3-dibromo-2-deuterio-21,23-dihydro-2H-porphyrin
CID 172746201
4-(2-trimethylsilylethynyl)phenol
CID 10750210
(1R,4S)-1,2,3,4,21,23-hexahydroporphyrin
CID 91614379
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
1,8,11,23,27,28,30-heptazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,9,12,14,16,18(27),19,21,24-undecaene
CID 91057941
(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate
CID 141327229
21,22-dihydro-1H-porphyrin-2-one;titanium
CID 174981692
3-methyl-5-(2-trimethylsilylethynyl)phenol
CID 132839021
2,3,6,7-tetrabromo-1,4,5,8-tetramethyl-21,23-dihydro-5H-porphyrin
CID 67705277
(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
CID 89086428
21,22-dihydro-1H-porphyrin-2-thione;samarium;zinc
CID 174770463

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol?
The IUPAC name of 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol (CID 141175488) is 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol.
What is the SMILES notation for 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol?
The canonical SMILES for 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol is C[Si](C)(C)C#C/C1=C2\C=CC(=N2)/C=c2/cc/c([nH]2)=C/C2=N/C(=C\C3(c4ccc(O)cc4)CC=C1N3)C=C2.
What is the InChIKey of 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol?
The InChIKey is NWPSQFZFNANIRK-FMGZWCIJSA-N. The full InChI is InChI=1S/C31H28N4OSi/c1-37(2,3)17-15-28-29-13-10-25(34-29)19-23-7-6-22(32-23)18-24-8-9-26(33-24)20-31(16-14-30(28)35-31)21-4-11-27(36)12-5-21/h4-14,18-20,32,35-36H,16H2,1-3H3/b22-18-,23-19-,26-20-,29-28-.
What are the key properties of 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol?
4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol has a molecular weight of 500.68 g/mol, XLogP of 4.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z,10Z,14Z,19Z)-5-(2-trimethylsilylethynyl)-21,23-dihydro-2H-porphyrin-1-yl]phenol is sourced from PubChem (CID 141175488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).