1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc

C44H54N6SiZn — CID 87940370

IUPAC1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc
SMILESC#CC(/C1=C2\C=CC(=N2)/C(CCCCCCC)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(CCCCCCC)=C2/C=CC1=N2)[Si](C)(C)C.[Zn]
InChIInChI=1S/C44H54N6Si.Zn/c1-8-11-13-15-17-19-31-33-21-25-37(46-33)42(41(10-3)51(5,6)7)38-26-22-34(47-38)32(20-18-16-14-12-9-2)36-24-28-40(49-36)43(39-27-23-35(31)48-39)44-45-29-30-50(44)4;/h3,21-30,41H,8-9,11-20H2,1-2,4-7H3;/b33-31-,34-32-,35-31-,36-32-,42-37+,42-38+,43-39+,43-40+;
InChIKeyCOBLFTNWVPXYHQ-VJDKNBEESA-N
MW760.43 g/mol
LogP11.01
Rot. Bonds15

About 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc

1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc (PubChem CID 87940370) has the molecular formula C44H54N6SiZn and a molecular weight of 760.43 g/mol. Its IUPAC name is 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc.

Molecular Properties

Compound Name1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc
PubChem CID87940370
Molecular FormulaC44H54N6SiZn
Molecular Weight760.43 g/mol
Exact Mass758.35
IUPAC Name1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc
SMILESC#CC(/C1=C2\C=CC(=N2)/C(CCCCCCC)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(CCCCCCC)=C2/C=CC1=N2)[Si](C)(C)C.[Zn]
InChIInChI=1S/C44H54N6Si.Zn/c1-8-11-13-15-17-19-31-33-21-25-37(46-33)42(41(10-3)51(5,6)7)38-26-22-34(47-38)32(20-18-16-14-12-9-2)36-24-28-40(49-36)43(39-27-23-35(31)48-39)44-45-29-30-50(44)4;/h3,21-30,41H,8-9,11-20H2,1-2,4-7H3;/b33-31-,34-32-,35-31-,36-32-,42-37+,42-38+,43-39+,43-40+;
InChIKeyCOBLFTNWVPXYHQ-VJDKNBEESA-N
XLogP11.01
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.43
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc with MolForge

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Related Compounds

5-undecylporphyrin;dihydrochloride
CID 174659069
5,15-bis(1-methylimidazol-2-yl)porphyrin
CID 67022223
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-heptyl-5-(1-methylimidazol-2-yl)triazole-4-carboxylic acid
CID 103116060
S-[4-[10,20-diheptyl-15-(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl] ethanethioate
CID 90800474
bis(1-methyl-2-phenylimidazole);pentane
CID 134304641
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
10-methyl-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-20-(trifluoromethyl)-21H-porphyrin
CID 135988618
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
1,2-dimethyl-4-octylimidazole
CID 118062821

Frequently Asked Questions

What is the IUPAC name of 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc?
The IUPAC name of 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc (CID 87940370) is 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc.
What is the SMILES notation for 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc?
The canonical SMILES for 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc is C#CC(/C1=C2\C=CC(=N2)/C(CCCCCCC)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(CCCCCCC)=C2/C=CC1=N2)[Si](C)(C)C.[Zn].
What is the InChIKey of 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc?
The InChIKey is COBLFTNWVPXYHQ-VJDKNBEESA-N. The full InChI is InChI=1S/C44H54N6Si.Zn/c1-8-11-13-15-17-19-31-33-21-25-37(46-33)42(41(10-3)51(5,6)7)38-26-22-34(47-38)32(20-18-16-14-12-9-2)36-24-28-40(49-36)43(39-27-23-35(31)48-39)44-45-29-30-50(44)4;/h3,21-30,41H,8-9,11-20H2,1-2,4-7H3;/b33-31-,34-32-,35-31-,36-32-,42-37+,42-38+,43-39+,43-40+;.
What are the key properties of 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc?
1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc has a molecular weight of 760.43 g/mol, XLogP of 11.01, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10,20-diheptyl-15-(1-methylimidazol-2-yl)porphyrin-5-yl]prop-2-ynyl-trimethylsilane;zinc is sourced from PubChem (CID 87940370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).