8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline

C34H27N3 — CID 59749544

IUPAC8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline
SMILESC=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc2cccnc2c1C
InChIInChI=1S/C34H27N3/c1-25(31-21-20-27-13-12-22-35-33(27)26(31)2)32-23-37(24-36-32)34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-24H,1H2,2H3
InChIKeyIGQCEILKTMRGPA-UHFFFAOYSA-N
MW477.61 g/mol
LogP7.64
Rot. Bonds6

About 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline

8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline (PubChem CID 59749544) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline.

Molecular Properties

Compound Name8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline
PubChem CID59749544
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline
SMILESC=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc2cccnc2c1C
InChIInChI=1S/C34H27N3/c1-25(31-21-20-27-13-12-22-35-33(27)26(31)2)32-23-37(24-36-32)34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-24H,1H2,2H3
InChIKeyIGQCEILKTMRGPA-UHFFFAOYSA-N
XLogP7.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline?
The IUPAC name of 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline (CID 59749544) is 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline.
What is the SMILES notation for 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline?
The canonical SMILES for 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline is C=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc2cccnc2c1C.
What is the InChIKey of 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline?
The InChIKey is IGQCEILKTMRGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-25(31-21-20-27-13-12-22-35-33(27)26(31)2)32-23-37(24-36-32)34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)30-18-10-5-11-19-30/h3-24H,1H2,2H3.
What are the key properties of 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline?
8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline has a molecular weight of 477.61 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline is sourced from PubChem (CID 59749544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).