2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane

C24H20N4Si — CID 53364010

IUPAC2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C24H20N4Si/c1-29(2,3)15-12-16-8-10-17(11-9-16)24-27-22-18-6-4-13-25-20(18)21-19(23(22)28-24)7-5-14-26-21/h4-11,13-14H,1-3H3,(H,27,28)
InChIKeyAKIGUKMUUREGKD-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.56
Rot. Bonds1

About 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane

2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane (PubChem CID 53364010) has the molecular formula C24H20N4Si and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane
PubChem CID53364010
Molecular FormulaC24H20N4Si
Molecular Weight392.54 g/mol
Exact Mass392.15
IUPAC Name2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C24H20N4Si/c1-29(2,3)15-12-16-8-10-17(11-9-16)24-27-22-18-6-4-13-25-20(18)21-19(23(22)28-24)7-5-14-26-21/h4-11,13-14H,1-3H3,(H,27,28)
InChIKeyAKIGUKMUUREGKD-UHFFFAOYSA-N
XLogP5.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
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Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
SB-525334
CID 9967941
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
2-Phenylimidazo[4,5-c]quinoline
CID 10824264
Way-207024
CID 11496610
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
Sdccggsk-0000286.P001
CID 22727427
7-(5,6-Dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 56595784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane (CID 53364010) is 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane?
The InChIKey is AKIGUKMUUREGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4Si/c1-29(2,3)15-12-16-8-10-17(11-9-16)24-27-22-18-6-4-13-25-20(18)21-19(23(22)28-24)7-5-14-26-21/h4-11,13-14H,1-3H3,(H,27,28).
What are the key properties of 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane?
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane has a molecular weight of 392.54 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 53364010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).