9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum

C60H38N6OPt-2 — CID 166562689

About 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum

9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum (PubChem CID 166562689) has the molecular formula C60H38N6OPt-2 and a molecular weight of 1054.08 g/mol. Its IUPAC name is 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum.

Molecular Properties

• Compound Name: 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum
• PubChem CID: 166562689
• Molecular Formula: C60H38N6OPt-2
• Molecular Weight: 1054.08 g/mol
• Exact Mass: 1053.28
• IUPAC Name: 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][nH+]cc5)ccc4)ccc3c3cc(-c4ccc5c(c4)c4cccc6c7cc8c(cc7n5c46)c4cccc5c6ccccc6n8c54)ccc32)c1.[Pt]
• InChI: InChI=1S/C60H38N6O.Pt/c1-60(2,3)37-23-24-62-57(29-37)64-52-21-17-35(27-47(52)42-20-19-40(31-54(42)64)67-39-10-6-9-38(30-39)63-26-25-61-34-63)36-18-22-53-48(28-36)44-13-8-15-46-50-32-55-49(33-56(50)66(53)59(44)46)45-14-7-12-43-41-11-4-5-16-51(41)65(55)58(43)45;/h4-29,32-33,61H,1-3H3;/q-2
• InChIKey: WWJKVDYZYKGVLA-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 54.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.08
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum?

The IUPAC name of 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum (CID 166562689) is 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum.

What is the SMILES notation for 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum?

The canonical SMILES for 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][nH+]cc5)ccc4)ccc3c3cc(-c4ccc5c(c4)c4cccc6c7cc8c(cc7n5c46)c4cccc5c6ccccc6n8c54)ccc32)c1.[Pt].

What is the InChIKey of 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum?

The InChIKey is WWJKVDYZYKGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6O.Pt/c1-60(2,3)37-23-24-62-57(29-37)64-52-21-17-35(27-47(52)42-20-19-40(31-54(42)64)67-39-10-6-9-38(30-39)63-26-25-61-34-63)36-18-22-53-48(28-36)44-13-8-15-46-50-32-55-49(33-56(50)66(53)59(44)46)45-14-7-12-43-41-11-4-5-16-51(41)65(55)58(43)45;/h4-29,32-33,61H,1-3H3;/q-2;.

What are the key properties of 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum?

9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum has a molecular weight of 1054.08 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(4-tert-butyl-2-pyridinyl)-7-[3-(2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21,23,25,27(31),28-pentadecaene;platinum is sourced from PubChem (CID 166562689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).