6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)

C44H23Cl4N5Ni — CID 135524234

IUPAC6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(Cl)ccc54)c(-c4ccc(Cl)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2]
InChIInChI=1S/C44H23Cl4N5.Ni/c45-26-7-1-23(2-8-26)40-31-15-16-32(49-31)41(24-3-9-27(46)10-4-24)34-19-20-36(51-34)43-30-14-13-29(48)21-37(30)52-39-22-38(53-44(39)43)42(35-18-17-33(40)50-35)25-5-11-28(47)12-6-25;/h1-22,52H;/q-2;+2/b40-31-,40-33-,41-32-,41-34-,42-35-,42-38-,43-36-;
InChIKeySHODILFDGVYVOB-BPANYSGDSA-N
MW822.21 g/mol
LogP13.22
Rot. Bonds3

About 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)

6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) (PubChem CID 135524234) has the molecular formula C44H23Cl4N5Ni and a molecular weight of 822.21 g/mol. Its IUPAC name is 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+).

Molecular Properties

Compound Name6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)
PubChem CID135524234
Molecular FormulaC44H23Cl4N5Ni
Molecular Weight822.21 g/mol
Exact Mass819.01
IUPAC Name6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)
SMILESClc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(Cl)ccc54)c(-c4ccc(Cl)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2]
InChIInChI=1S/C44H23Cl4N5.Ni/c45-26-7-1-23(2-8-26)40-31-15-16-32(49-31)41(24-3-9-27(46)10-4-24)34-19-20-36(51-34)43-30-14-13-29(48)21-37(30)52-39-22-38(53-44(39)43)42(35-18-17-33(40)50-35)25-5-11-28(47)12-6-25;/h1-22,52H;/q-2;+2/b40-31-,40-33-,41-32-,41-34-,42-35-,42-38-,43-36-;
InChIKeySHODILFDGVYVOB-BPANYSGDSA-N
XLogP13.22
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.21
LogP ≤ 513.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) with MolForge

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Related Compounds

6-methoxy-14,19,24-tris(4-methoxyphenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)
CID 135524213
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187
copper 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073185
1,2-bis(4-chlorophenyl)ethane-1,2-diol;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide;titanium(2+)
CID 11251694
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
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CID 57381176
CID 57381176
copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175008074
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535
N-(4-chlorophenyl)-5,10,15,20-tetraphenylporphyrin-22,24-diid-2-amine;nickel(2+)
CID 25098994

Frequently Asked Questions

What is the IUPAC name of 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)?
The IUPAC name of 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) (CID 135524234) is 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+).
What is the SMILES notation for 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)?
The canonical SMILES for 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) is Clc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(Cl)ccc54)c(-c4ccc(Cl)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2].
What is the InChIKey of 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)?
The InChIKey is SHODILFDGVYVOB-BPANYSGDSA-N. The full InChI is InChI=1S/C44H23Cl4N5.Ni/c45-26-7-1-23(2-8-26)40-31-15-16-32(49-31)41(24-3-9-27(46)10-4-24)34-19-20-36(51-34)43-30-14-13-29(48)21-37(30)52-39-22-38(53-44(39)43)42(35-18-17-33(40)50-35)25-5-11-28(47)12-6-25;/h1-22,52H;/q-2;+2/b40-31-,40-33-,41-32-,41-34-,42-35-,42-38-,43-36-;.
What are the key properties of 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)?
6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) has a molecular weight of 822.21 g/mol, XLogP of 13.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-14,19,24-tris(4-chlorophenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+) is sourced from PubChem (CID 135524234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).