2-[3,5-di(indolizin-2-yl)phenyl]indolizine

C30H21N3 — CID 23390970

IUPAC2-[3,5-di(indolizin-2-yl)phenyl]indolizine
SMILESc1ccn2cc(-c3cc(-c4cc5ccccn5c4)cc(-c4cc5ccccn5c4)c3)cc2c1
InChIInChI=1S/C30H21N3/c1-4-10-31-19-25(16-28(31)7-1)22-13-23(26-17-29-8-2-5-11-32(29)20-26)15-24(14-22)27-18-30-9-3-6-12-33(30)21-27/h1-21H
InChIKeyWJJIOJVTGAPYOO-UHFFFAOYSA-N
MW423.52 g/mol
LogP7.45
Rot. Bonds3

About 2-[3,5-di(indolizin-2-yl)phenyl]indolizine

2-[3,5-di(indolizin-2-yl)phenyl]indolizine (PubChem CID 23390970) has the molecular formula C30H21N3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[3,5-di(indolizin-2-yl)phenyl]indolizine.

Molecular Properties

Compound Name2-[3,5-di(indolizin-2-yl)phenyl]indolizine
PubChem CID23390970
Molecular FormulaC30H21N3
Molecular Weight423.52 g/mol
Exact Mass423.17
IUPAC Name2-[3,5-di(indolizin-2-yl)phenyl]indolizine
SMILESc1ccn2cc(-c3cc(-c4cc5ccccn5c4)cc(-c4cc5ccccn5c4)c3)cc2c1
InChIInChI=1S/C30H21N3/c1-4-10-31-19-25(16-28(31)7-1)22-13-23(26-17-29-8-2-5-11-32(29)20-26)15-24(14-22)27-18-30-9-3-6-12-33(30)21-27/h1-21H
InChIKeyWJJIOJVTGAPYOO-UHFFFAOYSA-N
XLogP7.45
TPSA13.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(indolizin-2-yl)phenyl]indolizine?
The IUPAC name of 2-[3,5-di(indolizin-2-yl)phenyl]indolizine (CID 23390970) is 2-[3,5-di(indolizin-2-yl)phenyl]indolizine.
What is the SMILES notation for 2-[3,5-di(indolizin-2-yl)phenyl]indolizine?
The canonical SMILES for 2-[3,5-di(indolizin-2-yl)phenyl]indolizine is c1ccn2cc(-c3cc(-c4cc5ccccn5c4)cc(-c4cc5ccccn5c4)c3)cc2c1.
What is the InChIKey of 2-[3,5-di(indolizin-2-yl)phenyl]indolizine?
The InChIKey is WJJIOJVTGAPYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3/c1-4-10-31-19-25(16-28(31)7-1)22-13-23(26-17-29-8-2-5-11-32(29)20-26)15-24(14-22)27-18-30-9-3-6-12-33(30)21-27/h1-21H.
What are the key properties of 2-[3,5-di(indolizin-2-yl)phenyl]indolizine?
2-[3,5-di(indolizin-2-yl)phenyl]indolizine has a molecular weight of 423.52 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(indolizin-2-yl)phenyl]indolizine is sourced from PubChem (CID 23390970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).