2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum

C26H20N2O2Pt — CID 135975765

IUPAC2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum
SMILESCc1cc(-c2ccccc2O)nc2c1ccc1c(C)cc(-c3ccccc3O)nc12.[Pt]
InChIInChI=1S/C26H20N2O2.Pt/c1-15-13-21(19-7-3-5-9-23(19)29)27-25-17(15)11-12-18-16(2)14-22(28-26(18)25)20-8-4-6-10-24(20)30;/h3-14,29-30H,1-2H3;
InChIKeyKXEGPXYTWOPLNU-UHFFFAOYSA-N
MW587.54 g/mol
LogP6.14
Rot. Bonds2

About 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum

2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum (PubChem CID 135975765) has the molecular formula C26H20N2O2Pt and a molecular weight of 587.54 g/mol. Its IUPAC name is 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum
PubChem CID135975765
Molecular FormulaC26H20N2O2Pt
Molecular Weight587.54 g/mol
Exact Mass587.12
IUPAC Name2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum
SMILESCc1cc(-c2ccccc2O)nc2c1ccc1c(C)cc(-c3ccccc3O)nc12.[Pt]
InChIInChI=1S/C26H20N2O2.Pt/c1-15-13-21(19-7-3-5-9-23(19)29)27-25-17(15)11-12-18-16(2)14-22(28-26(18)25)20-8-4-6-10-24(20)30;/h3-14,29-30H,1-2H3;
InChIKeyKXEGPXYTWOPLNU-UHFFFAOYSA-N
XLogP6.14
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.54
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2-[6-[6-(2,4-difluoro-6-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-3,5-difluorophenol;2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol;2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum
CID 160701107
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
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
[2-(2-ethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
CID 169420711
2,9-bis(4-dibenzothiophen-4-ylphenyl)-4,7-dimethyl-1,10-phenanthroline
CID 90050277
1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169422573
2-fluoro-9-[4-(9-fluoro-4,7-dimethyl-1,10-phenanthrolin-2-yl)phenyl]-4,7-dimethyl-1,10-phenanthroline
CID 59736516
2-methoxy-6-(4-methyl-8-propan-2-yloxyquinolin-2-yl)phenol
CID 169410777
2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol
CID 169419996
3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum
CID 135975702

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The IUPAC name of 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum (CID 135975765) is 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The canonical SMILES for 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum is Cc1cc(-c2ccccc2O)nc2c1ccc1c(C)cc(-c3ccccc3O)nc12.[Pt].
What is the InChIKey of 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum?
The InChIKey is KXEGPXYTWOPLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2.Pt/c1-15-13-21(19-7-3-5-9-23(19)29)27-25-17(15)11-12-18-16(2)14-22(28-26(18)25)20-8-4-6-10-24(20)30;/h3-14,29-30H,1-2H3;.
What are the key properties of 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum?
2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum has a molecular weight of 587.54 g/mol, XLogP of 6.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum is sourced from PubChem (CID 135975765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).