nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide

C44H52F20N4Ni-4 — CID 5250315

IUPACnickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
SMILESFC1C(F)C(F)C(C2C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC2[N-]3)C(F)C1F.[Ni]
InChIInChI=1S/C44H52F20N4.Ni/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h9-44H,1-8H2;/q-4;
InChIKeyFRHRDCHUKRHHBA-UHFFFAOYSA-N
MW1075.58 g/mol
LogP11.36
Rot. Bonds4

About nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide

nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide (PubChem CID 5250315) has the molecular formula C44H52F20N4Ni-4 and a molecular weight of 1075.58 g/mol. Its IUPAC name is nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide.

Molecular Properties

Compound Namenickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
PubChem CID5250315
Molecular FormulaC44H52F20N4Ni-4
Molecular Weight1075.58 g/mol
Exact Mass1074.32
IUPAC Namenickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
SMILESFC1C(F)C(F)C(C2C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC2[N-]3)C(F)C1F.[Ni]
InChIInChI=1S/C44H52F20N4.Ni/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h9-44H,1-8H2;/q-4;
InChIKeyFRHRDCHUKRHHBA-UHFFFAOYSA-N
XLogP11.36
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.58
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide with MolForge

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Related Compounds

CID 5242816
CID 5242816
Silver;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250311
Palladium;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250317
Copper;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide
CID 5250318
5,10-Dicyclohexyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide;silver
CID 5250321

Frequently Asked Questions

What is the IUPAC name of nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide?
The IUPAC name of nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide (CID 5250315) is nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide.
What is the SMILES notation for nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide?
The canonical SMILES for nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide is FC1C(F)C(F)C(C2C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC([N-]3)C(C3C(F)C(F)C(F)C(F)C3F)C3CCC2[N-]3)C(F)C1F.[Ni].
What is the InChIKey of nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide?
The InChIKey is FRHRDCHUKRHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52F20N4.Ni/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h9-44H,1-8H2;/q-4;.
What are the key properties of nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide?
nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide has a molecular weight of 1075.58 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;5,10,15,20-tetrakis(2,3,4,5,6-pentafluorocyclohexyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20-icosahydroporphyrin-21,22,23,24-tetraide is sourced from PubChem (CID 5250315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).