2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))

C123H108N12O4Pt4 — CID 158317681

About 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))

2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)) (PubChem CID 158317681) has the molecular formula C123H108N12O4Pt4 and a molecular weight of 2598.61 g/mol. Its IUPAC name is 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)).

Molecular Properties

• Compound Name: 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))
• PubChem CID: 158317681
• Molecular Formula: C123H108N12O4Pt4
• Molecular Weight: 2598.61 g/mol
• Exact Mass: 2596.72
• IUPAC Name: 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))
• SMILES: CC(C)(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.CCc1c(C=C2N=C(C)C(C)=C2C)[n-]c(C=c2[cH-]c(=Cc3ccccn3)c(CC)c2CC)c1CC.C[N-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[N-]C)nc3c2n1.Oc1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/C38H28N4.C32H37N3.C28H21N3O2.C25H22N2O2.4Pt/c1-39-33-19-11-9-17-29(33)35-23-31(25-13-5-3-6-14-25)27-21-22-28-32(26-15-7-4-8-16-26)24-36(42-38(28)37(27)41-35)30-18-10-12-20-34(30)40-2;1-8-26-23(17-25-14-12-13-15-33-25)16-24(27(26)9-2)18-31-28(10-3)29(11-4)32(35-31)19-30-21(6)20(5)22(7)34-30;32-25-16-6-4-12-21(25)23-14-8-18-27(29-23)31(20-10-2-1-3-11-20)28-19-9-15-24(30-28)22-13-5-7-17-26(22)33;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;;;;/h3-24H,1-2H3;12-19H,8-11H2,1-7H3;1-19,32-33H;3-16,28-29H,1-2H3;;;;/q2*-2;;;;;2*+2
• InChIKey: SDKJBLWEELWXCY-UHFFFAOYSA-N
• XLogP: 28.77
• TPSA: 229.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.61
LogP ≤ 5	28.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))?

The IUPAC name of 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)) (CID 158317681) is 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)).

What is the SMILES notation for 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))?

The canonical SMILES for 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)) is CC(C)(c1cccc(-c2ccccc2O)n1)c1cccc(-c2ccccc2O)n1.CCc1c(C=C2N=C(C)C(C)=C2C)[n-]c(C=c2[cH-]c(=Cc3ccccn3)c(CC)c2CC)c1CC.C[N-]c1ccccc1-c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4[N-]C)nc3c2n1.Oc1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3O)n2)n1.[Pt+2].[Pt+2].[Pt].[Pt].

What is the InChIKey of 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))?

The InChIKey is SDKJBLWEELWXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4.C32H37N3.C28H21N3O2.C25H22N2O2.4Pt/c1-39-33-19-11-9-17-29(33)35-23-31(25-13-5-3-6-14-25)27-21-22-28-32(26-15-7-4-8-16-26)24-36(42-38(28)37(27)41-35)30-18-10-12-20-34(30)40-2;1-8-26-23(17-25-14-12-13-15-33-25)16-24(27(26)9-2)18-31-28(10-3)29(11-4)32(35-31)19-30-21(6)20(5)22(7)34-30;32-25-16-6-4-12-21(25)23-14-8-18-27(29-23)31(20-10-2-1-3-11-20)28-19-9-15-24(30-28)22-13-5-7-17-26(22)33;1-25(2,23-15-7-11-19(26-23)17-9-3-5-13-21(17)28)24-16-8-12-20(27-24)18-10-4-6-14-22(18)29;;;;/h3-24H,1-2H3;12-19H,8-11H2,1-7H3;1-19,32-33H;3-16,28-29H,1-2H3;;;;/q2*-2;;;;;2*+2.

What are the key properties of 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+))?

2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)) has a molecular weight of 2598.61 g/mol, XLogP of 28.77, 22 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[3,4-diethyl-5-[(3,4,5-trimethylpyrrol-2-ylidene)methyl]pyrrol-1-id-2-yl]methylidene]-2,3-diethylcyclopent-2-en-1-ylidene]methyl]pyridine;2-[6-(N-[6-(2-hydroxyphenyl)-2-pyridinyl]anilino)-2-pyridinyl]phenol;2-[6-[2-[6-(2-hydroxyphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]phenol;methyl-[2-[9-(2-methylazanidylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]azanide;platinum;bis(platinum(2+)) is sourced from PubChem (CID 158317681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).