2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile

C28H20N4 — CID 90407660

IUPAC2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C28H20N4/c29-19-22-16-17-30-26(18-22)27-20-32(21-31-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-18,20-21H
InChIKeyRMESDQNXOXOUEP-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.66
Rot. Bonds5

About 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile

2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile (PubChem CID 90407660) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
PubChem CID90407660
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C28H20N4/c29-19-22-16-17-30-26(18-22)27-20-32(21-31-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-18,20-21H
InChIKeyRMESDQNXOXOUEP-UHFFFAOYSA-N
XLogP5.66
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11681588
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile (CID 90407660) is 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile is N#Cc1ccnc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1.
What is the InChIKey of 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile?
The InChIKey is RMESDQNXOXOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c29-19-22-16-17-30-26(18-22)27-20-32(21-31-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-18,20-21H.
What are the key properties of 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile?
2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile has a molecular weight of 412.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylimidazol-4-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 90407660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).