platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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

C124H76N4Pt — CID 153304953

IUPACplatinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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].c1ccc(-c2cccc(-c3ccccc3)c2-c2c3nc(c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4[n-]c(c(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5nc(c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C124H76N4.Pt/c1-9-37-77(38-10-1)93-61-33-62-94(78-39-11-2-12-40-78)109(93)113-117-101-69-85-53-25-27-55-87(85)71-103(101)119(125-117)114(110-95(79-41-13-3-14-42-79)63-34-64-96(110)80-43-15-4-16-44-80)121-105-73-89-57-29-31-59-91(89)75-107(105)123(127-121)116(112-99(83-49-21-7-22-50-83)67-36-68-100(112)84-51-23-8-24-52-84)124-108-76-92-60-32-30-58-90(92)74-106(108)122(128-124)115(120-104-72-88-56-28-26-54-86(88)70-102(104)118(113)126-120)111-97(81-45-17-5-18-46-81)65-35-66-98(111)82-47-19-6-20-48-82;/h1-76H;/q-2;+2/b117-113-,118-113-,119-114-,120-115-,121-114-,122-115-,123-116-,124-116+;
InChIKeyCUJCIXVMJLIWDU-SVUJRHIDSA-N
MW1817.08 g/mol
LogP33.16
Rot. Bonds12

About platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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-tetrakis(2,6-diphenylphenyl)-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 153304953) has the molecular formula C124H76N4Pt and a molecular weight of 1817.08 g/mol. Its IUPAC name is platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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 Nameplatinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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 CID153304953
Molecular FormulaC124H76N4Pt
Molecular Weight1817.08 g/mol
Exact Mass1815.57
IUPAC Nameplatinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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].c1ccc(-c2cccc(-c3ccccc3)c2-c2c3nc(c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4[n-]c(c(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5nc(c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C124H76N4.Pt/c1-9-37-77(38-10-1)93-61-33-62-94(78-39-11-2-12-40-78)109(93)113-117-101-69-85-53-25-27-55-87(85)71-103(101)119(125-117)114(110-95(79-41-13-3-14-42-79)63-34-64-96(110)80-43-15-4-16-44-80)121-105-73-89-57-29-31-59-91(89)75-107(105)123(127-121)116(112-99(83-49-21-7-22-50-83)67-36-68-100(112)84-51-23-8-24-52-84)124-108-76-92-60-32-30-58-90(92)74-106(108)122(128-124)115(120-104-72-88-56-28-26-54-86(88)70-102(104)118(113)126-120)111-97(81-45-17-5-18-46-81)65-35-66-98(111)82-47-19-6-20-48-82;/h1-76H;/q-2;+2/b117-113-,118-113-,119-114-,120-115-,121-114-,122-115-,123-116-,124-116+;
InChIKeyCUJCIXVMJLIWDU-SVUJRHIDSA-N
XLogP33.16
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001817.08
LogP ≤ 533.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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 with MolForge

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Related Compounds

palladium(2+);2,15,28,41-tetraphenyl-57,59-diaza-58,60-diazanidatetradecacyclo[40.14.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,56.045,54.047,52]hexaconta-1(57),2,4,6,8,10,12,14,16(59),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-nonacosaene
CID 140733392
palladium(2+);2,11,20,29-tetraphenyl-41,43-diaza-42,44-diazanidadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(41),2,4,6,8,10,12(43),13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosaene
CID 140733400
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
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
carbanide;palladium;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 153305019
28,41-bis(3-chlorophenyl)-2,15,54,56-tetraza-53,55-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(52),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29(54),30,32,34,36,38,40,42,44,46,48,50-heptacosaene;platinum(2+)
CID 162462537
palladium(2+);2,15,28,41-tetrakis(4-propylphenyl)-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 153304917
palladium(2+);2,15,28,41-tetrakis(1-benzofuran-2-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 153305112
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
2,15,28,41-tetrakis(3-phenylphenyl)-53,54,55,56-tetrazatridecacyclo[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 153304979
methyl 4-[15,28,41-tris(4-methoxycarbonylphenyl)-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-heptacosaen-2-yl]benzoate;palladium(2+)
CID 22835704
15,41-bis(3-chlorophenyl)-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 162462572

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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-tetrakis(2,6-diphenylphenyl)-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 153304953) is platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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-tetrakis(2,6-diphenylphenyl)-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-tetrakis(2,6-diphenylphenyl)-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].c1ccc(-c2cccc(-c3ccccc3)c2-c2c3nc(c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4[n-]c(c(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5nc(c(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6[n-]c2c2cc7ccccc7cc62)-c2cc6ccccc6cc2-5)c2cc5ccccc5cc42)-c2cc4ccccc4cc2-3)cc1.
What is the InChIKey of platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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 CUJCIXVMJLIWDU-SVUJRHIDSA-N. The full InChI is InChI=1S/C124H76N4.Pt/c1-9-37-77(38-10-1)93-61-33-62-94(78-39-11-2-12-40-78)109(93)113-117-101-69-85-53-25-27-55-87(85)71-103(101)119(125-117)114(110-95(79-41-13-3-14-42-79)63-34-64-96(110)80-43-15-4-16-44-80)121-105-73-89-57-29-31-59-91(89)75-107(105)123(127-121)116(112-99(83-49-21-7-22-50-83)67-36-68-100(112)84-51-23-8-24-52-84)124-108-76-92-60-32-30-58-90(92)74-106(108)122(128-124)115(120-104-72-88-56-28-26-54-86(88)70-102(104)118(113)126-120)111-97(81-45-17-5-18-46-81)65-35-66-98(111)82-47-19-6-20-48-82;/h1-76H;/q-2;+2/b117-113-,118-113-,119-114-,120-115-,121-114-,122-115-,123-116-,124-116+;.
What are the key properties of platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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-tetrakis(2,6-diphenylphenyl)-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 1817.08 g/mol, XLogP of 33.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2,15,28,41-tetrakis(2,6-diphenylphenyl)-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 153304953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).