2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide

C108H97BrN5O8PS — CID 162250697

IUPAC2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide
SMILESCOc1ccc(-c2c(C)c3ccccn3c2/C=C/c2ccc(C=O)s2)cc1.COc1ccc(-c2c(C)c3ccccn3c2C=O)cc1.COc1ccc(-c2c(C)c3ccccn3c2CO)cc1.COc1ccc(-c2c(C)c3ccccn3c2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(-c2cn3ccccc3c2C)cc1.[Br-]
InChIInChI=1S/C35H31NOP.C23H19NO2S.C17H17NO2.C17H15NO2.C16H15NO.BrH/c1-27-33-20-12-13-25-36(33)34(35(27)28-21-23-29(37-2)24-22-28)26-38(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32;1-16-21-5-3-4-14-24(21)22(13-12-19-10-11-20(15-25)27-19)23(16)17-6-8-18(26-2)9-7-17;2*1-12-15-5-3-4-10-18(15)16(11-19)17(12)13-6-8-14(20-2)9-7-13;1-12-15(11-17-10-4-3-5-16(12)17)13-6-8-14(18-2)9-7-13;/h3-25H,26H2,1-2H3;3-15H,1-2H3;3-10,19H,11H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1H/q+1;;;;;/p-1/b;13-12+;;;;
InChIKeyHBIAHGRVVKRMDN-BLIABCBGSA-M
MW1735.94 g/mol
LogP21.46
Rot. Bonds20

About 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide

2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide (PubChem CID 162250697) has the molecular formula C108H97BrN5O8PS and a molecular weight of 1735.94 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide
PubChem CID162250697
Molecular FormulaC108H97BrN5O8PS
Molecular Weight1735.94 g/mol
Exact Mass1733.60
IUPAC Name2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide
SMILESCOc1ccc(-c2c(C)c3ccccn3c2/C=C/c2ccc(C=O)s2)cc1.COc1ccc(-c2c(C)c3ccccn3c2C=O)cc1.COc1ccc(-c2c(C)c3ccccn3c2CO)cc1.COc1ccc(-c2c(C)c3ccccn3c2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(-c2cn3ccccc3c2C)cc1.[Br-]
InChIInChI=1S/C35H31NOP.C23H19NO2S.C17H17NO2.C17H15NO2.C16H15NO.BrH/c1-27-33-20-12-13-25-36(33)34(35(27)28-21-23-29(37-2)24-22-28)26-38(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32;1-16-21-5-3-4-14-24(21)22(13-12-19-10-11-20(15-25)27-19)23(16)17-6-8-18(26-2)9-7-17;2*1-12-15-5-3-4-10-18(15)16(11-19)17(12)13-6-8-14(20-2)9-7-13;1-12-15(11-17-10-4-3-5-16(12)17)13-6-8-14(18-2)9-7-13;/h3-25H,26H2,1-2H3;3-15H,1-2H3;3-10,19H,11H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1H/q+1;;;;;/p-1/b;13-12+;;;;
InChIKeyHBIAHGRVVKRMDN-BLIABCBGSA-M
XLogP21.46
TPSA122.57 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.94
LogP ≤ 521.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide (CID 162250697) is 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide is COc1ccc(-c2c(C)c3ccccn3c2/C=C/c2ccc(C=O)s2)cc1.COc1ccc(-c2c(C)c3ccccn3c2C=O)cc1.COc1ccc(-c2c(C)c3ccccn3c2CO)cc1.COc1ccc(-c2c(C)c3ccccn3c2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.COc1ccc(-c2cn3ccccc3c2C)cc1.[Br-].
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide?
The InChIKey is HBIAHGRVVKRMDN-BLIABCBGSA-M. The full InChI is InChI=1S/C35H31NOP.C23H19NO2S.C17H17NO2.C17H15NO2.C16H15NO.BrH/c1-27-33-20-12-13-25-36(33)34(35(27)28-21-23-29(37-2)24-22-28)26-38(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32;1-16-21-5-3-4-14-24(21)22(13-12-19-10-11-20(15-25)27-19)23(16)17-6-8-18(26-2)9-7-17;2*1-12-15-5-3-4-10-18(15)16(11-19)17(12)13-6-8-14(20-2)9-7-13;1-12-15(11-17-10-4-3-5-16(12)17)13-6-8-14(18-2)9-7-13;/h3-25H,26H2,1-2H3;3-15H,1-2H3;3-10,19H,11H2,1-2H3;3-11H,1-2H3;3-11H,1-2H3;1H/q+1;;;;;/p-1/b;13-12+;;;;.
What are the key properties of 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide?
2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide has a molecular weight of 1735.94 g/mol, XLogP of 21.46, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylindolizine;2-(4-methoxyphenyl)-1-methylindolizine-3-carbaldehyde;5-[(E)-2-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]ethenyl]thiophene-2-carbaldehyde;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methanol;[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]methyl-triphenylphosphanium;bromide is sourced from PubChem (CID 162250697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).