2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane

C37H32N4Si — CID 57249798

IUPAC2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C(c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C37H32N4Si/c1-42(2,3)23-22-29-30-18-20-34(40-30)36(25-10-6-4-7-11-25)32-16-14-27(38-32)24-28-15-17-33(39-28)37(26-12-8-5-9-13-26)35-21-19-31(29)41-35/h4-21,24,38-41H,1-3H3
InChIKeyHFSKHHOTWSRKKQ-UHFFFAOYSA-N
MW560.78 g/mol
LogP4.72
Rot. Bonds2

About 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane

2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane (PubChem CID 57249798) has the molecular formula C37H32N4Si and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
PubChem CID57249798
Molecular FormulaC37H32N4Si
Molecular Weight560.78 g/mol
Exact Mass560.24
IUPAC Name2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C(c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C37H32N4Si/c1-42(2,3)23-22-29-30-18-20-34(40-30)36(25-10-6-4-7-11-25)32-16-14-27(38-32)24-28-15-17-33(39-28)37(26-12-8-5-9-13-26)35-21-19-31(29)41-35/h4-21,24,38-41H,1-3H3
InChIKeyHFSKHHOTWSRKKQ-UHFFFAOYSA-N
XLogP4.72
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.78
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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

5,10,15-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 91607020
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine
CID 163986385
4-[3-[15-[3-[4-(dimethylamino)phenyl]sulfanylphenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]sulfanyl-N,N-dimethylaniline
CID 91078033
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
4-[15-(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzaldehyde
CID 91151416
(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 101267150
5,10,15,20-tetrakis(2-phenylethynyl)-21,22,23,24-tetrahydroporphyrin
CID 91566904
5,10-bis[3-(3-bromopropoxy)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 91354652
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
CID 54545974

Frequently Asked Questions

What is the IUPAC name of 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane (CID 57249798) is 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#CC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=C(c2ccccc2)c2ccc1[nH]2.
What is the InChIKey of 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane?
The InChIKey is HFSKHHOTWSRKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4Si/c1-42(2,3)23-22-29-30-18-20-34(40-30)36(25-10-6-4-7-11-25)32-16-14-27(38-32)24-28-15-17-33(39-28)37(26-12-8-5-9-13-26)35-21-19-31(29)41-35/h4-21,24,38-41H,1-3H3.
What are the key properties of 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane?
2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane has a molecular weight of 560.78 g/mol, XLogP of 4.72, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 57249798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).