1,5-bis(3-phenylindolizin-1-yl)pentan-3-one

C33H28N2O — CID 174585238

IUPAC1,5-bis(3-phenylindolizin-1-yl)pentan-3-one
SMILESO=C(CCc1cc(-c2ccccc2)n2ccccc12)CCc1cc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C33H28N2O/c36-29(19-17-27-23-32(25-11-3-1-4-12-25)34-21-9-7-15-30(27)34)20-18-28-24-33(26-13-5-2-6-14-26)35-22-10-8-16-31(28)35/h1-16,21-24H,17-20H2
InChIKeyBFQWGIMASPKSOU-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.66
Rot. Bonds8

About 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one

1,5-bis(3-phenylindolizin-1-yl)pentan-3-one (PubChem CID 174585238) has the molecular formula C33H28N2O and a molecular weight of 468.60 g/mol. Its IUPAC name is 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(3-phenylindolizin-1-yl)pentan-3-one
PubChem CID174585238
Molecular FormulaC33H28N2O
Molecular Weight468.60 g/mol
Exact Mass468.22
IUPAC Name1,5-bis(3-phenylindolizin-1-yl)pentan-3-one
SMILESO=C(CCc1cc(-c2ccccc2)n2ccccc12)CCc1cc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C33H28N2O/c36-29(19-17-27-23-32(25-11-3-1-4-12-25)34-21-9-7-15-30(27)34)20-18-28-24-33(26-13-5-2-6-14-26)35-22-10-8-16-31(28)35/h1-16,21-24H,17-20H2
InChIKeyBFQWGIMASPKSOU-UHFFFAOYSA-N
XLogP7.66
TPSA25.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one?
The IUPAC name of 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one (CID 174585238) is 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one.
What is the SMILES notation for 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one?
The canonical SMILES for 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one is O=C(CCc1cc(-c2ccccc2)n2ccccc12)CCc1cc(-c2ccccc2)n2ccccc12.
What is the InChIKey of 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one?
The InChIKey is BFQWGIMASPKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O/c36-29(19-17-27-23-32(25-11-3-1-4-12-25)34-21-9-7-15-30(27)34)20-18-28-24-33(26-13-5-2-6-14-26)35-22-10-8-16-31(28)35/h1-16,21-24H,17-20H2.
What are the key properties of 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one?
1,5-bis(3-phenylindolizin-1-yl)pentan-3-one has a molecular weight of 468.60 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3-phenylindolizin-1-yl)pentan-3-one is sourced from PubChem (CID 174585238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).