6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)

C116H116Ir4N8O8-4 — CID 157191820

IUPAC6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c2c(cc1)c1ccc(C)cc1c1nc(-c3ccccc3)cnc21.Cc1cc(C)c2c3ccc[c-]c3c3ncc(-c4ccccc4)nc3c2c1.Cc1ccc2c(c1)c1nc(-c3ccccc3)cnc1c1[c-]ccc(C)c12.Cc1cccc(-c2nc3c4ccccc4c4ccc[c-]c4c3nc2C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C24H17N2.4C5H12O2.4Ir/c1-15-8-7-9-17(14-15)22-16(2)25-23-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24(23)26-22;1-15-11-12-18-20(13-15)24-23(19-10-6-7-16(2)22(18)19)25-14-21(26-24)17-8-4-3-5-9-17;1-15-12-16(2)22-18-10-6-7-11-19(18)23-24(20(22)13-15)26-21(14-25-23)17-8-4-3-5-9-17;1-15-8-10-18-19-11-9-16(2)13-21(19)24-23(20(18)12-15)25-14-22(26-24)17-6-4-3-5-7-17;4*1-4(6)3-5(2)7;;;;/h3-11,13-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-14H,1-2H3;3-11,13-14H,1-2H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCZHKLJYTEHYREC-UHFFFAOYSA-N
MW2519.12 g/mol
LogP24.62
Rot. Bonds12

About 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)

6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) (PubChem CID 157191820) has the molecular formula C116H116Ir4N8O8-4 and a molecular weight of 2519.12 g/mol. Its IUPAC name is 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol).

Molecular Properties

Compound Name6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)
PubChem CID157191820
Molecular FormulaC116H116Ir4N8O8-4
Molecular Weight2519.12 g/mol
Exact Mass2520.75
IUPAC Name6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c2c(cc1)c1ccc(C)cc1c1nc(-c3ccccc3)cnc21.Cc1cc(C)c2c3ccc[c-]c3c3ncc(-c4ccccc4)nc3c2c1.Cc1ccc2c(c1)c1nc(-c3ccccc3)cnc1c1[c-]ccc(C)c12.Cc1cccc(-c2nc3c4ccccc4c4ccc[c-]c4c3nc2C)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C24H17N2.4C5H12O2.4Ir/c1-15-8-7-9-17(14-15)22-16(2)25-23-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24(23)26-22;1-15-11-12-18-20(13-15)24-23(19-10-6-7-16(2)22(18)19)25-14-21(26-24)17-8-4-3-5-9-17;1-15-12-16(2)22-18-10-6-7-11-19(18)23-24(20(22)13-15)26-21(14-25-23)17-8-4-3-5-9-17;1-15-8-10-18-19-11-9-16(2)13-21(19)24-23(20(18)12-15)25-14-22(26-24)17-6-4-3-5-7-17;4*1-4(6)3-5(2)7;;;;/h3-11,13-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-14H,1-2H3;3-11,13-14H,1-2H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCZHKLJYTEHYREC-UHFFFAOYSA-N
XLogP24.62
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002519.12
LogP ≤ 524.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) with MolForge

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Related Compounds

Rh(Phen)2phi3+
CID 147663
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CID 158240734
Tris(iridium);bis(4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile);pentane-2,4-diol;bis(2-phenylpyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158277247
2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline)
CID 158396252
Pentakis(iridium);4-methyl-2-(2-phenylethenyl)quinoline;2-(2-naphthalen-1-ylethenyl)pyridine;pentakis(pentane-2,4-diol);2-(2-phenylethenyl)pyridine;2-(2-phenylethenyl)quinoline;2-(2-phenylethenyl)-5-(trifluoromethyl)pyridine
CID 158618877
Tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(pentane-2,4-diol)
CID 159374891
Tetrakis(iridium);bis(4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;2-phenyl-3-phenylquinoxaline;tris(2-phenylpyridine)
CID 159418051
2-(5,6-Dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 159622192
Argon;carbanide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);imino-(2-methyl-2-phenylpropylidene)molybdenum;imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);tris(2-methylpropan-2-ol);bis(1,10-phenanthroline);bis(2-pyridin-2-ylpyridine);1,1,1-trifluoro-2-methylpropan-2-ol
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2-(4-Fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;tetrakis(iridium);2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;tetrakis(pentane-2,4-diol);2-phenyl-3-phenylquinoxaline
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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)?
The IUPAC name of 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) (CID 157191820) is 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol).
What is the SMILES notation for 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)?
The canonical SMILES for 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c2c(cc1)c1ccc(C)cc1c1nc(-c3ccccc3)cnc21.Cc1cc(C)c2c3ccc[c-]c3c3ncc(-c4ccccc4)nc3c2c1.Cc1ccc2c(c1)c1nc(-c3ccccc3)cnc1c1[c-]ccc(C)c12.Cc1cccc(-c2nc3c4ccccc4c4ccc[c-]c4c3nc2C)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)?
The InChIKey is CZHKLJYTEHYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H17N2.4C5H12O2.4Ir/c1-15-8-7-9-17(14-15)22-16(2)25-23-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24(23)26-22;1-15-11-12-18-20(13-15)24-23(19-10-6-7-16(2)22(18)19)25-14-21(26-24)17-8-4-3-5-9-17;1-15-12-16(2)22-18-10-6-7-11-19(18)23-24(20(22)13-15)26-21(14-25-23)17-8-4-3-5-9-17;1-15-8-10-18-19-11-9-16(2)13-21(19)24-23(20(18)12-15)25-14-22(26-24)17-6-4-3-5-7-17;4*1-4(6)3-5(2)7;;;;/h3-11,13-14H,1-2H3;3-9,11-14H,1-2H3;3-10,12-14H,1-2H3;3-11,13-14H,1-2H3;4*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol)?
6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) has a molecular weight of 2519.12 g/mol, XLogP of 24.62, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,9-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;6,11-dimethyl-3-phenyl-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(iridium);2-methyl-3-(3-methylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide;tetrakis(pentane-2,4-diol) is sourced from PubChem (CID 157191820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).