2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine

C36H36N2O3 — CID 10554555

IUPAC2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
SMILESc1ccc(-c2cn3ccccc3c2CCOCCOCCOCCc2c(-c3ccccc3)cn3ccccc23)cc1
InChIInChI=1S/C36H36N2O3/c1-3-11-29(12-4-1)33-27-37-19-9-7-15-35(37)31(33)17-21-39-23-25-41-26-24-40-22-18-32-34(30-13-5-2-6-14-30)28-38-20-10-8-16-36(32)38/h1-16,19-20,27-28H,17-18,21-26H2
InChIKeyVDZYLDSWJVZQNB-UHFFFAOYSA-N
MW544.70 g/mol
LogP7.36
Rot. Bonds14

About 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine

2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine (PubChem CID 10554555) has the molecular formula C36H36N2O3 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine.

Molecular Properties

Compound Name2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
PubChem CID10554555
Molecular FormulaC36H36N2O3
Molecular Weight544.70 g/mol
Exact Mass544.27
IUPAC Name2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
SMILESc1ccc(-c2cn3ccccc3c2CCOCCOCCOCCc2c(-c3ccccc3)cn3ccccc23)cc1
InChIInChI=1S/C36H36N2O3/c1-3-11-29(12-4-1)33-27-37-19-9-7-15-35(37)31(33)17-21-39-23-25-41-26-24-40-22-18-32-34(30-13-5-2-6-14-30)28-38-20-10-8-16-36(32)38/h1-16,19-20,27-28H,17-18,21-26H2
InChIKeyVDZYLDSWJVZQNB-UHFFFAOYSA-N
XLogP7.36
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]-N,N-dimethylmethanamine
CID 134806014
1-[4-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]-N,N-dimethylmethanamine
CID 134806036
4-(3,6-dihydro-2H-pyran-4-yl)-6-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine
CID 134806043
3-[1-Methoxy-2-(1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 267108
3-[(Morpholin-4-yl)methyl]-1,2-diphenylindolizine
CID 1192790
1-[2-(1,3-Dioxolan-2-yl)ethyl]-2-phenylindolizine
CID 638821
1-[2-(1,3-Dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine
CID 10745875
2-phenyl-3-[(E)-2-(2-phenylindolizin-3-yl)ethenyl]indolizine
CID 24764276
1-methyl-3-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine
CID 25068184
7-methyl-3-[(E)-2-(7-methyl-2-phenylindolizin-3-yl)ethenyl]-2-phenylindolizine
CID 102517091
2-[4-[4-(4-Indolizin-2-ylphenyl)phenyl]phenyl]indolizine
CID 21361836
2-[4-(4-Indolizin-2-ylphenyl)phenyl]indolizine
CID 21817022

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The IUPAC name of 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine (CID 10554555) is 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine.
What is the SMILES notation for 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The canonical SMILES for 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine is c1ccc(-c2cn3ccccc3c2CCOCCOCCOCCc2c(-c3ccccc3)cn3ccccc23)cc1.
What is the InChIKey of 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
The InChIKey is VDZYLDSWJVZQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O3/c1-3-11-29(12-4-1)33-27-37-19-9-7-15-35(37)31(33)17-21-39-23-25-41-26-24-40-22-18-32-34(30-13-5-2-6-14-30)28-38-20-10-8-16-36(32)38/h1-16,19-20,27-28H,17-18,21-26H2.
What are the key properties of 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine?
2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine has a molecular weight of 544.70 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine is sourced from PubChem (CID 10554555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).