2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum

C48H32N2O2Pt — CID 135975684

IUPAC2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum
SMILESOc1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccc4O)nc3c2n1.[Pt]
InChIInChI=1S/C48H32N2O2.Pt/c51-45-25-21-35(31-13-5-1-6-14-31)27-41(45)43-29-39(33-17-9-3-10-18-33)37-23-24-38-40(34-19-11-4-12-20-34)30-44(50-48(38)47(37)49-43)42-28-36(22-26-46(42)52)32-15-7-2-8-16-32;/h1-30,51-52H;
InChIKeyANWJAKSSGFFROH-UHFFFAOYSA-N
MW863.87 g/mol
LogP12.19
Rot. Bonds6

About 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum

2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum (PubChem CID 135975684) has the molecular formula C48H32N2O2Pt and a molecular weight of 863.87 g/mol. Its IUPAC name is 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum.

Molecular Properties

Compound Name2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum
PubChem CID135975684
Molecular FormulaC48H32N2O2Pt
Molecular Weight863.87 g/mol
Exact Mass863.21
IUPAC Name2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum
SMILESOc1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccc4O)nc3c2n1.[Pt]
InChIInChI=1S/C48H32N2O2.Pt/c51-45-25-21-35(31-13-5-1-6-14-31)27-41(45)43-29-39(33-17-9-3-10-18-33)37-23-24-38-40(34-19-11-4-12-20-34)30-44(50-48(38)47(37)49-43)42-28-36(22-26-46(42)52)32-15-7-2-8-16-32;/h1-30,51-52H;
InChIKeyANWJAKSSGFFROH-UHFFFAOYSA-N
XLogP12.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.87
LogP ≤ 512.19
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

1-(7,14-Dihydronaphtho[1,2-b]phenazin-5-yl)naphthalen-2-ol
CID 71591397
1-(2-Hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol
CID 136729250
3,20-Diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(34),2,4,6,8,10(36),11,13,15,17,19,21,23,25,27(35),28,30,32-octadecaene-17,34-diol
CID 136057999
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
Disodium;[4-[2,9-diphenyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667418
Disodium;[4-[2,9-dimethyl-7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]phenyl] sulfite;europium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 60093711
Cobalt;4,18-ditert-butyl-11-[4-(trifluoromethyl)phenyl]-30,33,35-triaza-36-azanidaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15(35),16,18,20(34),21(33),22,24(32),25,27(31),28-octadecaene-34,37-diol
CID 136069076
4,18-Ditert-butyl-11-(2,3,4,5,6-pentafluorophenyl)-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15,17,20(34),21(33),22,24(32),25,27(31),28-heptadecaene-34,37-diol
CID 137052740
4,18-Ditert-butyl-11-[4-(trifluoromethyl)phenyl]-30,33,35,36-tetrazaoctacyclo[19.8.4.12,6.17,10.112,15.116,20.024,32.027,31]heptatriaconta-1(30),2,4,6(37),7,9,11,13,15,17,20(34),21(33),22,24(32),25,27(31),28-heptadecaene-34,37-diol
CID 137085242
[Acetyloxy(phenyl)-lambda3-iodanyl] 2,2,2-trifluoroacetate;cobalt;bis(2-[9-(2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol);2,2,2-trifluoroacetic acid
CID 160123128
2,9-Bis(5-tert-butyl-2-methoxyphenyl)-1,10-phenanthroline
CID 15448089
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
CID 135961655

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum?
The IUPAC name of 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum (CID 135975684) is 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum.
What is the SMILES notation for 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum?
The canonical SMILES for 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum is Oc1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccc4O)nc3c2n1.[Pt].
What is the InChIKey of 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum?
The InChIKey is ANWJAKSSGFFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2.Pt/c51-45-25-21-35(31-13-5-1-6-14-31)27-41(45)43-29-39(33-17-9-3-10-18-33)37-23-24-38-40(34-19-11-4-12-20-34)30-44(50-48(38)47(37)49-43)42-28-36(22-26-46(42)52)32-15-7-2-8-16-32;/h1-30,51-52H;.
What are the key properties of 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum?
2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum has a molecular weight of 863.87 g/mol, XLogP of 12.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxy-5-phenylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-4-phenylphenol;platinum is sourced from PubChem (CID 135975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).