2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline

C70H62N6O4 — CID 139190301

IUPAC2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
SMILESCOc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1.COc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1
InChIInChI=1S/2C35H31N3O2/c2*1-20-16-26(39-5)17-21(2)32(20)30-9-7-8-28(36-30)29-14-12-24-10-11-25-13-15-31(38-35(25)34(24)37-29)33-22(3)18-27(40-6)19-23(33)4/h2*7-19H,1-6H3
InChIKeyXQHRPCAPGVHAJZ-UHFFFAOYSA-N
MW1051.30 g/mol
LogP16.86
Rot. Bonds10

About 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline

2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline (PubChem CID 139190301) has the molecular formula C70H62N6O4 and a molecular weight of 1051.30 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
PubChem CID139190301
Molecular FormulaC70H62N6O4
Molecular Weight1051.30 g/mol
Exact Mass1050.48
IUPAC Name2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
SMILESCOc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1.COc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1
InChIInChI=1S/2C35H31N3O2/c2*1-20-16-26(39-5)17-21(2)32(20)30-9-7-8-28(36-30)29-14-12-24-10-11-25-13-15-31(38-35(25)34(24)37-29)33-22(3)18-27(40-6)19-23(33)4/h2*7-19H,1-6H3
InChIKeyXQHRPCAPGVHAJZ-UHFFFAOYSA-N
XLogP16.86
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.30
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline with MolForge

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Related Compounds

11-Methoxy-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166635790
3,6-Bis(4-methylpiperazin-1-yl)-11-phenoxyphenanthro[9,10-b]quinoxaline
CID 166635861
CU(Dap)2 chloride
CID 60144211
7-(2-Ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline
CID 52942368
2-Methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline
CID 52943874
3-(5-Butan-2-yl-2-methoxyquinolin-7-yl)-2-methoxy-7-(2-methoxy-5-propan-2-ylquinolin-3-yl)-5-(2-methylpropyl)quinoline
CID 52949677
3-(4-Methoxynaphthalen-1-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137652530
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
6,6'-Methylenebis[2,3-bis(4-methoxyphenyl)quinoxaline]
CID 2847000
Bis(2,9-bis(p-methoxyphenyl)-1,10-phenanthroline)copper(1+) chloride
CID 117065415
(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride
CID 138108253
2,9-Bis(p-methoxytetrafluorophenyl)-1,10-phenanthroline
CID 129769057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline (CID 139190301) is 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline is COc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1.COc1cc(C)c(-c2cccc(-c3ccc4ccc5ccc(-c6c(C)cc(OC)cc6C)nc5c4n3)n2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The InChIKey is XQHRPCAPGVHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H31N3O2/c2*1-20-16-26(39-5)17-21(2)32(20)30-9-7-8-28(36-30)29-14-12-24-10-11-25-13-15-31(38-35(25)34(24)37-29)33-22(3)18-27(40-6)19-23(33)4/h2*7-19H,1-6H3.
What are the key properties of 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline has a molecular weight of 1051.30 g/mol, XLogP of 16.86, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethylphenyl)-9-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 139190301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).