15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)

C63H35N5Pt — CID 162462567

About 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)

15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+) (PubChem CID 162462567) has the molecular formula C63H35N5Pt and a molecular weight of 1067.15 g/mol. Its IUPAC name is 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+).

Molecular Properties

• Compound Name: 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)
• PubChem CID: 162462567
• Molecular Formula: C63H35N5Pt
• Molecular Weight: 1067.15 g/mol
• Exact Mass: 1066.32
• IUPAC Name: 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3nc(nc4[n-]c(c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5nc(cc6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)c([2H])c1[2H].[Pt+2]
• InChI: InChI=1S/C63H35N5.Pt/c1-3-15-36(16-4-1)56-58-48-29-40-21-9-7-19-38(40)27-46(48)54(64-58)35-55-47-28-39-20-8-10-22-41(39)30-49(47)59(65-55)57(37-17-5-2-6-18-37)61-51-32-43-24-12-14-26-45(43)34-53(51)63(67-61)68-62-52-33-44-25-13-11-23-42(44)31-50(52)60(56)66-62;/h1-35H;/q-2;+2/i1D,2D,3D,4D,5D,6D,15D,16D,17D,18D
• InChIKey: FUUSGPCCSBRSOK-BFLRNYPWSA-N
• XLogP: 15.89
• TPSA: 66.87 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.15
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)?

The IUPAC name of 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+) (CID 162462567) is 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+).

What is the SMILES notation for 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)?

The canonical SMILES for 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+) is [2H]c1c([2H])c([2H])c(-c2c3nc(nc4[n-]c(c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5nc(cc6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)c([2H])c1[2H].[Pt+2].

What is the InChIKey of 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)?

The InChIKey is FUUSGPCCSBRSOK-BFLRNYPWSA-N. The full InChI is InChI=1S/C63H35N5.Pt/c1-3-15-36(16-4-1)56-58-48-29-40-21-9-7-19-38(40)27-46(48)54(64-58)35-55-47-28-39-20-8-10-22-41(39)30-49(47)59(65-55)57(37-17-5-2-6-18-37)61-51-32-43-24-12-14-26-45(43)34-53(51)63(67-61)68-62-52-33-44-25-13-11-23-42(44)31-50(52)60(56)66-62;/h1-35H;/q-2;+2/i1D,2D,3D,4D,5D,6D,15D,16D,17D,18D;.

What are the key properties of 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+)?

15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+) has a molecular weight of 1067.15 g/mol, XLogP of 15.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15,41-bis(2,3,4,5,6-pentadeuteriophenyl)-2,53,55-triaza-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-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene;platinum(2+) is sourced from PubChem (CID 162462567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).