4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole

C35H28N2 — CID 141003006

IUPAC4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole
SMILESC(=C/c1ccc2ccccc2c1)\Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C35H28N2/c1-4-16-31(17-5-1)35(32-18-6-2-7-19-32,33-20-8-3-9-21-33)37-26-34(36-27-37)22-12-13-28-23-24-29-14-10-11-15-30(29)25-28/h1-21,23-27H,22H2/b13-12+
InChIKeyPJMPZFOPHWWUMW-OUKQBFOZSA-N
MW476.62 g/mol
LogP8.13
Rot. Bonds7

About 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole

4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole (PubChem CID 141003006) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole.

Molecular Properties

Compound Name4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole
PubChem CID141003006
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Name4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole
SMILESC(=C/c1ccc2ccccc2c1)\Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C35H28N2/c1-4-16-31(17-5-1)35(32-18-6-2-7-19-32,33-20-8-3-9-21-33)37-26-34(36-27-37)22-12-13-28-23-24-29-14-10-11-15-30(29)25-28/h1-21,23-27H,22H2/b13-12+
InChIKeyPJMPZFOPHWWUMW-OUKQBFOZSA-N
XLogP8.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
4-(2-phenylethenyl)-1-tritylimidazole
CID 85414317
4-(2,2-dimethylbut-3-enyl)-1-tritylimidazole
CID 59140430
(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal
CID 59032667
N-[2-(1-tritylimidazol-4-yl)ethyl]prop-1-en-2-amine
CID 89037583
4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
CID 156574711
1-(1-tritylimidazol-4-yl)propan-2-ol
CID 139755618
sodium 3-(1-tritylimidazol-4-yl)propan-1-olate
CID 23682245
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767
(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
CID 59032666
N-[(1-tritylimidazol-4-yl)methyl]propan-2-amine
CID 70043389

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole?
The IUPAC name of 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole (CID 141003006) is 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole.
What is the SMILES notation for 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole?
The canonical SMILES for 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole is C(=C/c1ccc2ccccc2c1)\Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole?
The InChIKey is PJMPZFOPHWWUMW-OUKQBFOZSA-N. The full InChI is InChI=1S/C35H28N2/c1-4-16-31(17-5-1)35(32-18-6-2-7-19-32,33-20-8-3-9-21-33)37-26-34(36-27-37)22-12-13-28-23-24-29-14-10-11-15-30(29)25-28/h1-21,23-27H,22H2/b13-12+.
What are the key properties of 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole?
4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole has a molecular weight of 476.62 g/mol, XLogP of 8.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole is sourced from PubChem (CID 141003006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).