1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine

C38H36N2O4 — CID 10745875

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine
SMILESc1ccc(-c2c(CCC3OCCO3)c3ccccn3c2-c2c(-c3ccccc3)c(CCC3OCCO3)c3ccccn23)cc1
InChIInChI=1S/C38H36N2O4/c1-3-11-27(12-4-1)35-29(17-19-33-41-23-24-42-33)31-15-7-9-21-39(31)37(35)38-36(28-13-5-2-6-14-28)30(18-20-34-43-25-26-44-34)32-16-8-10-22-40(32)38/h1-16,21-22,33-34H,17-20,23-26H2
InChIKeyQSCJLSLEYNOWSX-UHFFFAOYSA-N
MW584.72 g/mol
LogP7.80
Rot. Bonds9

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine

1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine (PubChem CID 10745875) has the molecular formula C38H36N2O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine
PubChem CID10745875
Molecular FormulaC38H36N2O4
Molecular Weight584.72 g/mol
Exact Mass584.27
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine
SMILESc1ccc(-c2c(CCC3OCCO3)c3ccccn3c2-c2c(-c3ccccc3)c(CCC3OCCO3)c3ccccn23)cc1
InChIInChI=1S/C38H36N2O4/c1-3-11-27(12-4-1)35-29(17-19-33-41-23-24-42-33)31-15-7-9-21-39(31)37(35)38-36(28-13-5-2-6-14-28)30(18-20-34-43-25-26-44-34)32-16-8-10-22-40(32)38/h1-16,21-22,33-34H,17-20,23-26H2
InChIKeyQSCJLSLEYNOWSX-UHFFFAOYSA-N
XLogP7.80
TPSA45.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,12S,13S,14S)-16-benzyl-13-(1,3-dioxolan-2-yl)-3-methyl-14-[(3R)-pent-1-en-3-yl]-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
CID 12068929
1-[2-(1,3-Dioxolan-2-yl)ethyl]-2-phenylindolizine
CID 638821
2-Phenyl-1-[2-[2-[2-[2-(2-phenylindolizin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]indolizine
CID 10554555
2-[4-(1,3-dioxolan-2-ylmethyl)-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
CID 20705016
2-[4-[3-(1,3-dioxolan-2-yl)propyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
CID 20705018
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;osmium;2-pyridin-2-ylpyridine
CID 20811301
2-[3-[2-(1,3-dioxolan-2-yl)propyl]indol-1-yl]-N,N-dimethylethanamine
CID 21563755
3-[2-(1,3-Dioxolan-2-yl)propyl]-1-phenylindole
CID 21563770
1-Benzyl-3-(1,3-dioxolan-2-ylmethyl)indole
CID 140454899
2-[3-[(E)-5-(1,3-dioxolan-2-yl)pent-1-enyl]phenyl]pyridine;2-[3-[5-(1,3-dioxolan-2-yl)pentyl]phenyl]pyridine
CID 159204516
2-[4-[2-(1,3-Dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;methane;osmium;2-pyridin-2-ylpyridine
CID 161459255
2-[4-[2-(1,3-Dioxolan-2-yl)ethyl]-2-pyridinyl]-4-methylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;osmium;2-pyridin-2-ylpyridine
CID 161963275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine?
The IUPAC name of 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) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine is c1ccc(-c2c(CCC3OCCO3)c3ccccn3c2-c2c(-c3ccccc3)c(CCC3OCCO3)c3ccccn23)cc1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine?
The InChIKey is QSCJLSLEYNOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O4/c1-3-11-27(12-4-1)35-29(17-19-33-41-23-24-42-33)31-15-7-9-21-39(31)37(35)38-36(28-13-5-2-6-14-28)30(18-20-34-43-25-26-44-34)32-16-8-10-22-40(32)38/h1-16,21-22,33-34H,17-20,23-26H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine has a molecular weight of 584.72 g/mol, XLogP of 7.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-[1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizin-3-yl]-2-phenylindolizine is sourced from PubChem (CID 10745875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).