4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile

C18H14N2O — CID 15398786

IUPAC4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESCOc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N2O/c1-21-18-15(12-19)16(13-8-4-2-5-9-13)20-17(18)14-10-6-3-7-11-14/h2-11,20H,1H3
InChIKeyXCUOBXYNDNMXMI-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.23
Rot. Bonds3

About 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile

4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile (PubChem CID 15398786) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
PubChem CID15398786
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESCOc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C#N
InChIInChI=1S/C18H14N2O/c1-21-18-15(12-19)16(13-8-4-2-5-9-13)20-17(18)14-10-6-3-7-11-14/h2-11,20H,1H3
InChIKeyXCUOBXYNDNMXMI-UHFFFAOYSA-N
XLogP4.23
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
CID 100982702
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CID 22083583
3-methyl-2,4-dioxo-6-phenyl-1H-pyrimidine-5-carbonitrile
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4-oxo-2-(3,4,5-trimethoxyphenyl)-1H-quinoline-3-carbonitrile
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5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
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2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
3-methoxy-2-phenyl-1H-indol-4-ol
CID 3024283
4-methyl-2-(methylamino)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15871301
2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 102016835
2-methoxy-3-phenylbenzonitrile
CID 91276072
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
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CID 141210513

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile (CID 15398786) is 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile is COc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C#N.
What is the InChIKey of 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is XCUOBXYNDNMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-21-18-15(12-19)16(13-8-4-2-5-9-13)20-17(18)14-10-6-3-7-11-14/h2-11,20H,1H3.
What are the key properties of 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile?
4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15398786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).