8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline

C35H31N3O2 — CID 102476845

IUPAC8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
SMILESCOc1cc(C)c(-c2ccnc(-c3ccc4ccc5cc(-c6c(C)cc(OC)cc6C)cnc5c4n3)c2)c(C)c1
InChIInChI=1S/C35H31N3O2/c1-20-13-28(39-5)14-21(2)32(20)25-11-12-36-31(18-25)30-10-9-24-7-8-26-17-27(19-37-34(26)35(24)38-30)33-22(3)15-29(40-6)16-23(33)4/h7-19H,1-6H3
InChIKeyVEYHLGVOHNKYIX-UHFFFAOYSA-N
MW525.65 g/mol
LogP8.43
Rot. Bonds5

About 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline

8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline (PubChem CID 102476845) has the molecular formula C35H31N3O2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline.

Molecular Properties

Compound Name8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
PubChem CID102476845
Molecular FormulaC35H31N3O2
Molecular Weight525.65 g/mol
Exact Mass525.24
IUPAC Name8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline
SMILESCOc1cc(C)c(-c2ccnc(-c3ccc4ccc5cc(-c6c(C)cc(OC)cc6C)cnc5c4n3)c2)c(C)c1
InChIInChI=1S/C35H31N3O2/c1-20-13-28(39-5)14-21(2)32(20)25-11-12-36-31(18-25)30-10-9-24-7-8-26-17-27(19-37-34(26)35(24)38-30)33-22(3)15-29(40-6)16-23(33)4/h7-19H,1-6H3
InChIKeyVEYHLGVOHNKYIX-UHFFFAOYSA-N
XLogP8.43
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline with MolForge

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Related Compounds

8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
(3S,4R)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-N-(quinolin-7-ylmethyl)piperidin-3-amine
CID 23647858
N4-Benzo(g)quinolin-4-yl-N1-(6-methoxy-8-quinolyl)pentane-1,4-diamine
CID 182816
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinoxalin-6-yl-ethyl)-amine
CID 10546538
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-7-yl-ethyl)-amine
CID 10737264
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
8-(3-Methyl-4-morpholin-4-ylmethyl-phenyl)-2-(3,4,5-trimethoxy-phenyl)-quinoxaline
CID 25123808
16,16-Bis(3-methoxyphenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324440

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The IUPAC name of 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline (CID 102476845) is 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline.
What is the SMILES notation for 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The canonical SMILES for 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline is COc1cc(C)c(-c2ccnc(-c3ccc4ccc5cc(-c6c(C)cc(OC)cc6C)cnc5c4n3)c2)c(C)c1.
What is the InChIKey of 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
The InChIKey is VEYHLGVOHNKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O2/c1-20-13-28(39-5)14-21(2)32(20)25-11-12-36-31(18-25)30-10-9-24-7-8-26-17-27(19-37-34(26)35(24)38-30)33-22(3)15-29(40-6)16-23(33)4/h7-19H,1-6H3.
What are the key properties of 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline?
8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline has a molecular weight of 525.65 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2,6-dimethylphenyl)-2-[4-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1,10-phenanthroline is sourced from PubChem (CID 102476845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).