4-(2-phenylethenyl)-1-tritylimidazole

C30H24N2 — CID 85414317

IUPAC4-(2-phenylethenyl)-1-tritylimidazole
SMILESC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C30H24N2/c1-5-13-25(14-6-1)21-22-29-23-32(24-31-29)30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyWULXEVALFAZMSY-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.89
Rot. Bonds6

About 4-(2-phenylethenyl)-1-tritylimidazole

4-(2-phenylethenyl)-1-tritylimidazole (PubChem CID 85414317) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(2-phenylethenyl)-1-tritylimidazole
PubChem CID85414317
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name4-(2-phenylethenyl)-1-tritylimidazole
SMILESC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C30H24N2/c1-5-13-25(14-6-1)21-22-29-23-32(24-31-29)30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyWULXEVALFAZMSY-UHFFFAOYSA-N
XLogP6.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.89
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

(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal
CID 59032667
(Z)-6-(1-tritylimidazol-4-yl)hex-5-enal
CID 59032666
4-[(E)-3-prop-2-ynoxyprop-1-enyl]-1-tritylimidazole
CID 53360012
4-iodo-1-tritylimidazole;palladium
CID 174711966
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
1-tritylimidazole-4-carboxylic acid
CID 10570117
4-(chloromethyl)-1-tritylimidazole
CID 2763176
tert-butyl 4-[(Z)-2-(1-tritylimidazol-4-yl)ethenyl]piperidine-1-carboxylate
CID 66852973
(3E)-2-oxo-3-[(1-tritylimidazol-4-yl)methylidene]piperidine-1-carboxylic acid
CID 68809419
2-oxo-3-[(1-tritylimidazol-4-yl)methylidene]piperidine-1-carboxylic acid
CID 68809421
4-[(E)-3-naphthalen-2-ylprop-2-enyl]-1-tritylimidazole
CID 141003006
(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
CID 24799040

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)-1-tritylimidazole?
The IUPAC name of 4-(2-phenylethenyl)-1-tritylimidazole (CID 85414317) is 4-(2-phenylethenyl)-1-tritylimidazole.
What is the SMILES notation for 4-(2-phenylethenyl)-1-tritylimidazole?
The canonical SMILES for 4-(2-phenylethenyl)-1-tritylimidazole is C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)-1-tritylimidazole?
The InChIKey is WULXEVALFAZMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-5-13-25(14-6-1)21-22-29-23-32(24-31-29)30(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 4-(2-phenylethenyl)-1-tritylimidazole?
4-(2-phenylethenyl)-1-tritylimidazole has a molecular weight of 412.54 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-1-tritylimidazole is sourced from PubChem (CID 85414317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).