9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline

C33H22N2O — CID 129061010

IUPAC9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline
SMILESCOc1ccc(-c2c3ccccc3c(-c3cc4c(ccc5ccncc54)cn3)c3ccccc23)cc1
InChIInChI=1S/C33H22N2O/c1-36-24-14-12-22(13-15-24)32-25-6-2-4-8-27(25)33(28-9-5-3-7-26(28)32)31-18-29-23(19-35-31)11-10-21-16-17-34-20-30(21)29/h2-20H,1H3
InChIKeyWRFAPEAVUXMFOG-UHFFFAOYSA-N
MW462.55 g/mol
LogP8.43
Rot. Bonds3

About 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline

9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline (PubChem CID 129061010) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline.

Molecular Properties

Compound Name9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline
PubChem CID129061010
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Name9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline
SMILESCOc1ccc(-c2c3ccccc3c(-c3cc4c(ccc5ccncc54)cn3)c3ccccc23)cc1
InChIInChI=1S/C33H22N2O/c1-36-24-14-12-22(13-15-24)32-25-6-2-4-8-27(25)33(28-9-5-3-7-26(28)32)31-18-29-23(19-35-31)11-10-21-16-17-34-20-30(21)29/h2-20H,1H3
InChIKeyWRFAPEAVUXMFOG-UHFFFAOYSA-N
XLogP8.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-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-[10-(4-methoxyphenyl)anthracen-9-yl]-1,8-phenanthroline
CID 129060992
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 129060956
2-naphthalen-2-ylbenzo[f]isoquinoline
CID 59470192
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
CID 59182915
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
5-methyl-2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]pyridine
CID 134531244

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline?
The IUPAC name of 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline (CID 129061010) is 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline.
What is the SMILES notation for 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline?
The canonical SMILES for 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline is COc1ccc(-c2c3ccccc3c(-c3cc4c(ccc5ccncc54)cn3)c3ccccc23)cc1.
What is the InChIKey of 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline?
The InChIKey is WRFAPEAVUXMFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c1-36-24-14-12-22(13-15-24)32-25-6-2-4-8-27(25)33(28-9-5-3-7-26(28)32)31-18-29-23(19-35-31)11-10-21-16-17-34-20-30(21)29/h2-20H,1H3.
What are the key properties of 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline?
9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline has a molecular weight of 462.55 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4-methoxyphenyl)anthracen-9-yl]-2,8-phenanthroline is sourced from PubChem (CID 129061010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).