5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)

C60H20F16N4Pt — CID 164815606

IUPAC5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)
SMILESFc1c(F)c(F)c2c(c1F)-c1nc-2c(-c2ccccc2)c2[n-]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[n-]c(c1-c1ccccc1)c1c(F)c(F)c(F)c(F)c41)-c1c(F)c(F)c(F)c(F)c1-3)c1c(F)c(F)c(F)c(F)c21.[Pt+2]
InChIInChI=1S/C60H20F16N4.Pt/c61-37-29-31(39(63)47(71)45(37)69)55-26(22-15-7-2-8-16-22)57-33-35(43(67)51(75)49(73)41(33)65)59(79-57)28(24-19-11-4-12-20-24)60-36-34(42(66)50(74)52(76)44(36)68)58(80-60)27(23-17-9-3-10-18-23)56-32-30(38(62)46(70)48(72)40(32)64)54(78-56)25(53(29)77-55)21-13-5-1-6-14-21;/h1-20H;/q-2;+2/b53-25-,54-25-,55-26-,56-27-,57-26-,58-27-,59-28-,60-28-;
InChIKeyLQPVCEYQVIREKH-QFEZUGFLSA-N
MW1295.89 g/mol
LogP17.44
Rot. Bonds4

About 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)

5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) (PubChem CID 164815606) has the molecular formula C60H20F16N4Pt and a molecular weight of 1295.89 g/mol. Its IUPAC name is 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+).

Molecular Properties

Compound Name5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)
PubChem CID164815606
Molecular FormulaC60H20F16N4Pt
Molecular Weight1295.89 g/mol
Exact Mass1295.11
IUPAC Name5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)
SMILESFc1c(F)c(F)c2c(c1F)-c1nc-2c(-c2ccccc2)c2[n-]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[n-]c(c1-c1ccccc1)c1c(F)c(F)c(F)c(F)c41)-c1c(F)c(F)c(F)c(F)c1-3)c1c(F)c(F)c(F)c(F)c21.[Pt+2]
InChIInChI=1S/C60H20F16N4.Pt/c61-37-29-31(39(63)47(71)45(37)69)55-26(22-15-7-2-8-16-22)57-33-35(43(67)51(75)49(73)41(33)65)59(79-57)28(24-19-11-4-12-20-24)60-36-34(42(66)50(74)52(76)44(36)68)58(80-60)27(23-17-9-3-10-18-23)56-32-30(38(62)46(70)48(72)40(32)64)54(78-56)25(53(29)77-55)21-13-5-1-6-14-21;/h1-20H;/q-2;+2/b53-25-,54-25-,55-26-,56-27-,57-26-,58-27-,59-28-,60-28-;
InChIKeyLQPVCEYQVIREKH-QFEZUGFLSA-N
XLogP17.44
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.89
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)?
The IUPAC name of 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) (CID 164815606) is 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+).
What is the SMILES notation for 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)?
The canonical SMILES for 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) is Fc1c(F)c(F)c2c(c1F)-c1nc-2c(-c2ccccc2)c2[n-]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[n-]c(c1-c1ccccc1)c1c(F)c(F)c(F)c(F)c41)-c1c(F)c(F)c(F)c(F)c1-3)c1c(F)c(F)c(F)c(F)c21.[Pt+2].
What is the InChIKey of 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)?
The InChIKey is LQPVCEYQVIREKH-QFEZUGFLSA-N. The full InChI is InChI=1S/C60H20F16N4.Pt/c61-37-29-31(39(63)47(71)45(37)69)55-26(22-15-7-2-8-16-22)57-33-35(43(67)51(75)49(73)41(33)65)59(79-57)28(24-19-11-4-12-20-24)60-36-34(42(66)50(74)52(76)44(36)68)58(80-60)27(23-17-9-3-10-18-23)56-32-30(38(62)46(70)48(72)40(32)64)54(78-56)25(53(29)77-55)21-13-5-1-6-14-21;/h1-20H;/q-2;+2/b53-25-,54-25-,55-26-,56-27-,57-26-,58-27-,59-28-,60-28-;.
What are the key properties of 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+)?
5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) has a molecular weight of 1295.89 g/mol, XLogP of 17.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29-tetraphenyl-37,39-diaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene;platinum(2+) is sourced from PubChem (CID 164815606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).