7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum

C29H29N2O2Pt- — CID 58019519

IUPAC7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Cc1c[c-]c2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3)cnc21.[Pt]
InChIInChI=1S/C24H17N2.C5H12O2.Pt/c1-15-8-10-18-20(12-15)21-13-16(2)9-11-19(21)24-23(18)25-14-22(26-24)17-6-4-3-5-7-17;1-4(6)3-5(2)7;/h3-9,11-14H,1-2H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyUFCPEZKEXNWLRH-UHFFFAOYSA-N
MW632.64 g/mol
LogP6.16
Rot. Bonds3

About 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum

7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum (PubChem CID 58019519) has the molecular formula C29H29N2O2Pt- and a molecular weight of 632.64 g/mol. Its IUPAC name is 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum.

Molecular Properties

Compound Name7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum
PubChem CID58019519
Molecular FormulaC29H29N2O2Pt-
Molecular Weight632.64 g/mol
Exact Mass632.19
IUPAC Name7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Cc1c[c-]c2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3)cnc21.[Pt]
InChIInChI=1S/C24H17N2.C5H12O2.Pt/c1-15-8-10-18-20(12-15)21-13-16(2)9-11-19(21)24-23(18)25-14-22(26-24)17-6-4-3-5-7-17;1-4(6)3-5(2)7;/h3-9,11-14H,1-2H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyUFCPEZKEXNWLRH-UHFFFAOYSA-N
XLogP6.16
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.64
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum 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

3-(3,5-dimethylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;iridium;pentane-2,4-diol
CID 58019467
3-(4-tert-butylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum
CID 58019486
7,10-dimethoxy-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;bis(iridium);5,6,7,8-tetrafluoro-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;bis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 161325787
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 159901904
tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-5-phenylpyrazine;2-methyl-3,5-diphenyl-6-phenylpyrazine;3-naphthalen-1-yl-5-phenyl-2-phenylpyrazine;tetrakis(pentane-2,4-diol);5-phenyl-2-phenyl-3-(4-phenylphenyl)pyrazine
CID 157322480
4-phenyl-11-tetraphenylen-2-yl-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484185
3-[2,6-di(dibenzofuran-4-yl)phenyl]-7,10-dimethylphenanthro[9,10-b]pyrazine
CID 89475765
3-[3-(6-methyl-9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410265
tris(3-(4-tert-butylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide);iridium(3+)
CID 58224667
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 58224563

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum?
The IUPAC name of 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum (CID 58019519) is 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum.
What is the SMILES notation for 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum?
The canonical SMILES for 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum is CC(O)CC(C)O.Cc1c[c-]c2c(c1)c1cc(C)ccc1c1nc(-c3ccccc3)cnc21.[Pt].
What is the InChIKey of 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum?
The InChIKey is UFCPEZKEXNWLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2.C5H12O2.Pt/c1-15-8-10-18-20(12-15)21-13-16(2)9-11-19(21)24-23(18)25-14-22(26-24)17-6-4-3-5-7-17;1-4(6)3-5(2)7;/h3-9,11-14H,1-2H3;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum?
7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum has a molecular weight of 632.64 g/mol, XLogP of 6.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;pentane-2,4-diol;platinum is sourced from PubChem (CID 58019519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).