3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum

C44H28N2O2PtS2 — CID 135975702

IUPAC3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum
SMILESOc1sc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)sc4O)nc3c2n1.[Pt]
InChIInChI=1S/C44H28N2O2S2.Pt/c47-43-35(25-39(49-43)29-17-9-3-10-18-29)37-23-33(27-13-5-1-6-14-27)31-21-22-32-34(28-15-7-2-8-16-28)24-38(46-42(32)41(31)45-37)36-26-40(50-44(36)48)30-19-11-4-12-20-30;/h1-26,47-48H;
InChIKeyADGHFMUDJFSSHB-UHFFFAOYSA-N
MW875.93 g/mol
LogP12.32
Rot. Bonds6

About 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum

3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum (PubChem CID 135975702) has the molecular formula C44H28N2O2PtS2 and a molecular weight of 875.93 g/mol. Its IUPAC name is 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum.

Molecular Properties

Compound Name3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum
PubChem CID135975702
Molecular FormulaC44H28N2O2PtS2
Molecular Weight875.93 g/mol
Exact Mass875.12
IUPAC Name3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum
SMILESOc1sc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)sc4O)nc3c2n1.[Pt]
InChIInChI=1S/C44H28N2O2S2.Pt/c47-43-35(25-39(49-43)29-17-9-3-10-18-29)37-23-33(27-13-5-1-6-14-27)31-21-22-32-34(28-15-7-2-8-16-28)24-38(46-42(32)41(31)45-37)36-26-40(50-44(36)48)30-19-11-4-12-20-30;/h1-26,47-48H;
InChIKeyADGHFMUDJFSSHB-UHFFFAOYSA-N
XLogP12.32
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.93
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
2-[9-(3-hydroxy-5-phenylthiophen-2-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-3-ol;3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;2-[9-(3-hydroxy-2-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[9-(3-hydroxy-4-pyridinyl)-1,10-phenanthrolin-2-yl]pyridin-3-ol;4-[6-[6-(3-hydroxy-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridin-3-ol;platinum
CID 160810686
2,9-bis(2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 11375703
2,7,9-triphenyl-4-[5-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)thiophen-2-yl]pyrido[3,2-h]quinazoline
CID 58049694
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
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
2,9-bis(9H-fluoren-1-yl)-4,7-diphenyl-1,10-phenanthroline
CID 69433443
4,7-diphenyl-2,9-bis(3,4,5-trimethylphenyl)-1,10-phenanthroline
CID 22972089
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum?
The IUPAC name of 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum (CID 135975702) is 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum.
What is the SMILES notation for 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum?
The canonical SMILES for 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum is Oc1sc(-c2ccccc2)cc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)sc4O)nc3c2n1.[Pt].
What is the InChIKey of 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum?
The InChIKey is ADGHFMUDJFSSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O2S2.Pt/c47-43-35(25-39(49-43)29-17-9-3-10-18-29)37-23-33(27-13-5-1-6-14-27)31-21-22-32-34(28-15-7-2-8-16-28)24-38(46-42(32)41(31)45-37)36-26-40(50-44(36)48)30-19-11-4-12-20-30;/h1-26,47-48H;.
What are the key properties of 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum?
3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum has a molecular weight of 875.93 g/mol, XLogP of 12.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum is sourced from PubChem (CID 135975702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).