carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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

C85H63N4Pt-3 — CID 153305007

About carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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

carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 153305007) has the molecular formula C85H63N4Pt-3 and a molecular weight of 1335.54 g/mol. Its IUPAC name is carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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: carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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: 153305007
• Molecular Formula: C85H63N4Pt-3
• Molecular Weight: 1335.54 g/mol
• Exact Mass: 1334.47
• IUPAC Name: carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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: Cc1cccc(C)c1-c1c2nc(c(-c3c(C)cccc3C)c3[n-]c(c(-c4c(C)cccc4C)c4nc(c(-c5c(C)cccc5C)c5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.[CH3-].[Pt]
• InChI: InChI=1S/C84H60N4.CH3.Pt/c1-45-21-17-22-46(2)69(45)73-77-61-37-53-29-9-11-31-55(53)39-63(61)79(85-77)74(70-47(3)23-18-24-48(70)4)81-65-41-57-33-13-15-35-59(57)43-67(65)83(87-81)76(72-51(7)27-20-28-52(72)8)84-68-44-60-36-16-14-34-58(60)42-66(68)82(88-84)75(71-49(5)25-19-26-50(71)6)80-64-40-56-32-12-10-30-54(56)38-62(64)78(73)86-80;;/h9-44H,1-8H3;1H3;/q-2;-1;/b77-73-,78-73-,79-74-,80-75-,81-74-,82-75-,83-76-,84-76+
• InChIKey: CZQZUVHOYKSVRB-FPDKPOSBSA-N
• XLogP: 22.74
• TPSA: 53.98 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.54
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 153305007) is carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 Cc1cccc(C)c1-c1c2nc(c(-c3c(C)cccc3C)c3[n-]c(c(-c4c(C)cccc4C)c4nc(c(-c5c(C)cccc5C)c5[n-]c1c1cc6ccccc6cc51)-c1cc5ccccc5cc1-4)c1cc4ccccc4cc31)-c1cc3ccccc3cc1-2.[CH3-].[Pt].

What is the InChIKey of carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 CZQZUVHOYKSVRB-FPDKPOSBSA-N. The full InChI is InChI=1S/C84H60N4.CH3.Pt/c1-45-21-17-22-46(2)69(45)73-77-61-37-53-29-9-11-31-55(53)39-63(61)79(85-77)74(70-47(3)23-18-24-48(70)4)81-65-41-57-33-13-15-35-59(57)43-67(65)83(87-81)76(72-51(7)27-20-28-52(72)8)84-68-44-60-36-16-14-34-58(60)42-66(68)82(88-84)75(71-49(5)25-19-26-50(71)6)80-64-40-56-32-12-10-30-54(56)38-62(64)78(73)86-80;;/h9-44H,1-8H3;1H3;/q-2;-1;/b77-73-,78-73-,79-74-,80-75-,81-74-,82-75-,83-76-,84-76+;;.

What are the key properties of carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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?

carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 1335.54 g/mol, XLogP of 22.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;platinum;2,15,28,41-tetrakis(2,6-dimethylphenyl)-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 153305007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).