2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline

C28H24N2O2 — CID 67372925

IUPAC2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccc3ccc4ccc(Cc5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C28H24N2O2/c1-31-25-13-3-19(4-14-25)17-23-11-9-21-7-8-22-10-12-24(30-28(22)27(21)29-23)18-20-5-15-26(32-2)16-6-20/h3-16H,17-18H2,1-2H3
InChIKeySFYGVMJTAVOKJX-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.98
Rot. Bonds6

About 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline

2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline (PubChem CID 67372925) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
PubChem CID67372925
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
SMILESCOc1ccc(Cc2ccc3ccc4ccc(Cc5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C28H24N2O2/c1-31-25-13-3-19(4-14-25)17-23-11-9-21-7-8-22-10-12-24(30-28(22)27(21)29-23)18-20-5-15-26(32-2)16-6-20/h3-16H,17-18H2,1-2H3
InChIKeySFYGVMJTAVOKJX-UHFFFAOYSA-N
XLogP5.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
N'-[6-[(4-methoxyphenyl)methyl]pyridazin-3-yl]-N,N-dimethylmethanimidamide
CID 66940614
(4-methoxyphenyl)(113C)methyl-trimethylsilane
CID 101034579
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
1,3-dibenzyl-7-methoxyisoquinoline
CID 141360236

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The IUPAC name of 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline (CID 67372925) is 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The canonical SMILES for 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline is COc1ccc(Cc2ccc3ccc4ccc(Cc5ccc(OC)cc5)nc4c3n2)cc1.
What is the InChIKey of 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
The InChIKey is SFYGVMJTAVOKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-31-25-13-3-19(4-14-25)17-23-11-9-21-7-8-22-10-12-24(30-28(22)27(21)29-23)18-20-5-15-26(32-2)16-6-20/h3-16H,17-18H2,1-2H3.
What are the key properties of 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline?
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline has a molecular weight of 420.51 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline is sourced from PubChem (CID 67372925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).