platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

C72H40N8Pt — CID 153305119

About platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (PubChem CID 153305119) has the molecular formula C72H40N8Pt and a molecular weight of 1212.25 g/mol. Its IUPAC name is platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

Molecular Properties

• Compound Name: platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• PubChem CID: 153305119
• Molecular Formula: C72H40N8Pt
• Molecular Weight: 1212.25 g/mol
• Exact Mass: 1211.30
• IUPAC Name: platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• SMILES: [Pt+2].c1cncc(-c2c3nc(c(-c4cccnc4)c4[n-]c(c(-c5cccnc5)c5nc(c(-c6cccnc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)c1
• InChI: InChI=1S/C72H40N8.Pt/c1-2-14-42-30-54-53(29-41(42)13-1)65-61(49-21-9-25-73-37-49)67-55-31-43-15-3-4-16-44(43)32-56(55)69(78-67)63(51-23-11-27-75-39-51)71-59-35-47-19-7-8-20-48(47)36-60(59)72(80-71)64(52-24-12-28-76-40-52)70-58-34-46-18-6-5-17-45(46)33-57(58)68(79-70)62(66(54)77-65)50-22-10-26-74-38-50;/h1-40H;/q-2;+2/b65-61-,66-62-,67-61-,68-62-,69-63-,70-64-,71-63-,72-64+
• InChIKey: NBNGUVOMVXEBMD-YAYWZOEPSA-N
• XLogP: 17.41
• TPSA: 105.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1212.25
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The IUPAC name of platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (CID 153305119) is platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

What is the SMILES notation for platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The canonical SMILES for platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is [Pt+2].c1cncc(-c2c3nc(c(-c4cccnc4)c4[n-]c(c(-c5cccnc5)c5nc(c(-c6cccnc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)c1.

What is the InChIKey of platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The InChIKey is NBNGUVOMVXEBMD-YAYWZOEPSA-N. The full InChI is InChI=1S/C72H40N8.Pt/c1-2-14-42-30-54-53(29-41(42)13-1)65-61(49-21-9-25-73-37-49)67-55-31-43-15-3-4-16-44(43)32-56(55)69(78-67)63(51-23-11-27-75-39-51)71-59-35-47-19-7-8-20-48(47)36-60(59)72(80-71)64(52-24-12-28-76-40-52)70-58-34-46-18-6-5-17-45(46)33-57(58)68(79-70)62(66(54)77-65)50-22-10-26-74-38-50;/h1-40H;/q-2;+2/b65-61-,66-62-,67-61-,68-62-,69-63-,70-64-,71-63-,72-64+;.

What are the key properties of platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene has a molecular weight of 1212.25 g/mol, XLogP of 17.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);2,15,28,41-tetrapyridin-3-yl-53,55-diaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is sourced from PubChem (CID 153305119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).