2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline

C36H26N2 — CID 171419180

IUPAC2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
SMILESCc1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C)nc3c2n1
InChIInChI=1S/C36H26N2/c1-23-15-17-28-22-34(33-18-16-24(2)38-36(33)35(28)37-23)27-12-8-11-26(21-27)30-20-19-29(25-9-4-3-5-10-25)31-13-6-7-14-32(30)31/h3-22H,1-2H3
InChIKeyNLURGDQNPWMYDH-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.55
Rot. Bonds3

About 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline

2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline (PubChem CID 171419180) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
PubChem CID171419180
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
SMILESCc1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C)nc3c2n1
InChIInChI=1S/C36H26N2/c1-23-15-17-28-22-34(33-18-16-24(2)38-36(33)35(28)37-23)27-12-8-11-26(21-27)30-20-19-29(25-9-4-3-5-10-25)31-13-6-7-14-32(30)31/h3-22H,1-2H3
InChIKeyNLURGDQNPWMYDH-UHFFFAOYSA-N
XLogP9.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-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

5-[4-(2,9-dimethyl-1,10-phenanthrolin-5-yl)phenyl]-2,9-dimethyl-1,10-phenanthroline
CID 102191847
5-[3-(4-phenylnaphthalen-1-yl)phenyl]-2,9-di(propan-2-yl)-1,10-phenanthroline
CID 171419209
[4-(2,9-dimethyl-1,10-phenanthrolin-5-yl)phenyl]-trimethylsilane
CID 11485093
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-methyl-4-phenyl-1,10-phenanthroline
CID 168818387
5-[8-(2,9-dimethyl-1,10-phenanthrolin-5-yl)dibenzofuran-2-yl]-2,9-dimethyl-1,10-phenanthroline
CID 118067072
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2,4-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-(2-methylphenyl)-9-[3-[9-(2-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-[3-methyl-5-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 160699118
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-methyl-4-phenylquinolin-8-ol;phenol
CID 174796538
2-methyl-9-[2-methyl-4-(9-methyl-7-phenyl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
CID 59736480
2-cyclohexyl-4-[4-(3,4-diphenylphenyl)phenyl]-9-methyl-1,10-phenanthroline
CID 171419143
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline (CID 171419180) is 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline is Cc1ccc2cc(-c3cccc(-c4ccc(-c5ccccc5)c5ccccc45)c3)c3ccc(C)nc3c2n1.
What is the InChIKey of 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
The InChIKey is NLURGDQNPWMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-23-15-17-28-22-34(33-18-16-24(2)38-36(33)35(28)37-23)27-12-8-11-26(21-27)30-20-19-29(25-9-4-3-5-10-25)31-13-6-7-14-32(30)31/h3-22H,1-2H3.
What are the key properties of 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline?
2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline has a molecular weight of 486.62 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 171419180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).