1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile

C25H16N2O — CID 10546438

IUPAC1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccco3)c2c1
InChIInChI=1S/C25H16N2O/c26-17-18-13-14-27-21(16-18)24(22-12-7-15-28-22)23(19-8-3-1-4-9-19)25(27)20-10-5-2-6-11-20/h1-16H
InChIKeyNXXDGTRHCPXFCU-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.40
Rot. Bonds3

About 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile

1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile (PubChem CID 10546438) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile
PubChem CID10546438
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccco3)c2c1
InChIInChI=1S/C25H16N2O/c26-17-18-13-14-27-21(16-18)24(22-12-7-15-28-22)23(19-8-3-1-4-9-19)25(27)20-10-5-2-6-11-20/h1-16H
InChIKeyNXXDGTRHCPXFCU-UHFFFAOYSA-N
XLogP6.40
TPSA41.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44397540
CID 44397540
CID 589080
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CID 951675
CID 951675
CID 44410800
CID 44410800
CID 817595
CID 817595
CID 817597
CID 817597
CID 11257134
CID 11257134
CID 11416598
CID 11416598
CID 17964355
CID 17964355
CID 56640866
CID 56640866
CID 56640868
CID 56640868
CID 775562
CID 775562

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile?
The IUPAC name of 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile (CID 10546438) is 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile.
What is the SMILES notation for 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile?
The canonical SMILES for 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile is N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccco3)c2c1.
What is the InChIKey of 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile?
The InChIKey is NXXDGTRHCPXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c26-17-18-13-14-27-21(16-18)24(22-12-7-15-28-22)23(19-8-3-1-4-9-19)25(27)20-10-5-2-6-11-20/h1-16H.
What are the key properties of 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile?
1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2,3-diphenylindolizine-7-carbonitrile is sourced from PubChem (CID 10546438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).