2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine

C152H136N16O12 — CID 158232174

IUPAC2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine
SMILESCOCOc1c(-c2cccc(-c3cccc(-c4cccc(-c5ccc[nH]5)c4OCOC)n3)n2)cccc1-c1ccc[nH]1.COCn1cccc1-c1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6COC)c5C)nc4c3n2)c1C.COc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C)c5OC)nc4c3n2)cccc1-c1cccn1C.Cc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C(=O)OC(C)(C)C)c5C)nc4c3n2)cccc1-c1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C44H42N4O4.C38H34N4O2.C36H30N4O2.C34H30N4O4/c1-27-31(13-9-15-33(27)37-17-11-25-47(37)41(49)51-43(3,4)5)35-23-21-29-19-20-30-22-24-36(46-40(30)39(29)45-35)32-14-10-16-34(28(32)2)38-18-12-26-48(38)42(50)52-44(6,7)8;1-25-29(9-5-11-31(25)35-13-7-21-41(35)23-43-3)33-19-17-27-15-16-28-18-20-34(40-38(28)37(27)39-33)30-10-6-12-32(26(30)2)36-14-8-22-42(36)24-44-4;1-39-21-7-13-31(39)27-11-5-9-25(35(27)41-3)29-19-17-23-15-16-24-18-20-30(38-34(24)33(23)37-29)26-10-6-12-28(36(26)42-4)32-14-8-22-40(32)2;1-39-21-41-33-23(27-17-7-19-35-27)9-3-11-25(33)29-13-5-15-31(37-29)32-16-6-14-30(38-32)26-12-4-10-24(28-18-8-20-36-28)34(26)42-22-40-2/h9-26H,1-8H3;5-22H,23-24H2,1-4H3;5-22H,1-4H3;3-20,35-36H,21-22H2,1-2H3
InChIKeyGEMWTTOXGUGGHH-UHFFFAOYSA-N
MW2378.86 g/mol
LogP35.69
Rot. Bonds29

About 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine

2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine (PubChem CID 158232174) has the molecular formula C152H136N16O12 and a molecular weight of 2378.86 g/mol. Its IUPAC name is 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine
PubChem CID158232174
Molecular FormulaC152H136N16O12
Molecular Weight2378.86 g/mol
Exact Mass2377.05
IUPAC Name2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine
SMILESCOCOc1c(-c2cccc(-c3cccc(-c4cccc(-c5ccc[nH]5)c4OCOC)n3)n2)cccc1-c1ccc[nH]1.COCn1cccc1-c1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6COC)c5C)nc4c3n2)c1C.COc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C)c5OC)nc4c3n2)cccc1-c1cccn1C.Cc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C(=O)OC(C)(C)C)c5C)nc4c3n2)cccc1-c1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C44H42N4O4.C38H34N4O2.C36H30N4O2.C34H30N4O4/c1-27-31(13-9-15-33(27)37-17-11-25-47(37)41(49)51-43(3,4)5)35-23-21-29-19-20-30-22-24-36(46-40(30)39(29)45-35)32-14-10-16-34(28(32)2)38-18-12-26-48(38)42(50)52-44(6,7)8;1-25-29(9-5-11-31(25)35-13-7-21-41(35)23-43-3)33-19-17-27-15-16-28-18-20-34(40-38(28)37(27)39-33)30-10-6-12-32(26(30)2)36-14-8-22-42(36)24-44-4;1-39-21-7-13-31(39)27-11-5-9-25(35(27)41-3)29-19-17-23-15-16-24-18-20-30(38-34(24)33(23)37-29)26-10-6-12-28(36(26)42-4)32-14-8-22-40(32)2;1-39-21-41-33-23(27-17-7-19-35-27)9-3-11-25(33)29-13-5-15-31(37-29)32-16-6-14-30(38-32)26-12-4-10-24(28-18-8-20-36-28)34(26)42-22-40-2/h9-26H,1-8H3;5-22H,23-24H2,1-4H3;5-22H,1-4H3;3-20,35-36H,21-22H2,1-2H3
InChIKeyGEMWTTOXGUGGHH-UHFFFAOYSA-N
XLogP35.69
TPSA290.72 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.86
LogP ≤ 535.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine (CID 158232174) is 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine is COCOc1c(-c2cccc(-c3cccc(-c4cccc(-c5ccc[nH]5)c4OCOC)n3)n2)cccc1-c1ccc[nH]1.COCn1cccc1-c1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6COC)c5C)nc4c3n2)c1C.COc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C)c5OC)nc4c3n2)cccc1-c1cccn1C.Cc1c(-c2ccc3ccc4ccc(-c5cccc(-c6cccn6C(=O)OC(C)(C)C)c5C)nc4c3n2)cccc1-c1cccn1C(=O)OC(C)(C)C.
What is the InChIKey of 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine?
The InChIKey is GEMWTTOXGUGGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4O4.C38H34N4O2.C36H30N4O2.C34H30N4O4/c1-27-31(13-9-15-33(27)37-17-11-25-47(37)41(49)51-43(3,4)5)35-23-21-29-19-20-30-22-24-36(46-40(30)39(29)45-35)32-14-10-16-34(28(32)2)38-18-12-26-48(38)42(50)52-44(6,7)8;1-25-29(9-5-11-31(25)35-13-7-21-41(35)23-43-3)33-19-17-27-15-16-28-18-20-34(40-38(28)37(27)39-33)30-10-6-12-32(26(30)2)36-14-8-22-42(36)24-44-4;1-39-21-7-13-31(39)27-11-5-9-25(35(27)41-3)29-19-17-23-15-16-24-18-20-30(38-34(24)33(23)37-29)26-10-6-12-28(36(26)42-4)32-14-8-22-40(32)2;1-39-21-41-33-23(27-17-7-19-35-27)9-3-11-25(33)29-13-5-15-31(37-29)32-16-6-14-30(38-32)26-12-4-10-24(28-18-8-20-36-28)34(26)42-22-40-2/h9-26H,1-8H3;5-22H,23-24H2,1-4H3;5-22H,1-4H3;3-20,35-36H,21-22H2,1-2H3.
What are the key properties of 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine?
2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine has a molecular weight of 2378.86 g/mol, XLogP of 35.69, 29 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[3-[1-(methoxymethyl)pyrrol-2-yl]-2-methylphenyl]-1,10-phenanthroline;2,9-bis[2-methoxy-3-(1-methylpyrrol-2-yl)phenyl]-1,10-phenanthroline;tert-butyl 2-[2-methyl-3-[9-[2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]phenyl]pyrrole-1-carboxylate;2-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-6-[6-[2-(methoxymethoxy)-3-(1H-pyrrol-2-yl)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 158232174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).