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+)

C48H35N5NiO4 — CID 135524213

IUPAC6-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+)
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(OC)ccc54)c(-c4ccc(OC)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2]
InChIInChI=1S/C48H35N5O4.Ni/c1-54-30-11-5-27(6-12-30)44-35-19-20-36(49-35)45(28-7-13-31(55-2)14-8-28)38-23-24-40(51-38)47-34-18-17-33(57-4)25-41(34)52-43-26-42(53-48(43)47)46(39-22-21-37(44)50-39)29-9-15-32(56-3)16-10-29;/h5-26,52H,1-4H3;/q-2;+2/b44-35-,44-37-,45-36-,45-38-,46-39-,46-42-,47-40-;
InChIKeyGBFGNAKEFLQSPT-ROXHDUTJSA-N
MW804.53 g/mol
LogP10.64
Rot. Bonds7

About 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+)

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+) (PubChem CID 135524213) has the molecular formula C48H35N5NiO4 and a molecular weight of 804.53 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name6-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+)
PubChem CID135524213
Molecular FormulaC48H35N5NiO4
Molecular Weight804.53 g/mol
Exact Mass803.20
IUPAC Name6-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+)
SMILESCOc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(OC)ccc54)c(-c4ccc(OC)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2]
InChIInChI=1S/C48H35N5O4.Ni/c1-54-30-11-5-27(6-12-30)44-35-19-20-36(49-35)45(28-7-13-31(55-2)14-8-28)38-23-24-40(51-38)47-34-18-17-33(57-4)25-41(34)52-43-26-42(53-48(43)47)46(39-22-21-37(44)50-39)29-9-15-32(56-3)16-10-29;/h5-26,52H,1-4H3;/q-2;+2/b44-35-,44-37-,45-36-,45-38-,46-39-,46-42-,47-40-;
InChIKeyGBFGNAKEFLQSPT-ROXHDUTJSA-N
XLogP10.64
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.53
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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+) with MolForge

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Related Compounds

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
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
chlorocobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 155720992
cobalt(3+);cyclohexane;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 11125783
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
10,15,20-tris(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin
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zinc N'-[4-[10,15,20-tris(4-methoxyphenyl)porphyrin-22,24-diid-5-yl]phenyl]heptane-1,7-diamine
CID 50902973
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
CID 6321152
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
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5-methoxy-2-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([n-]4)c4c5nc(cc-5[nH]c5cc(OC)ccc54)c(-c4ccc(OC)cc4)c4ccc2[n-]4)C=C3)cc1.[Ni+2].
What is the InChIKey of 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+)?
The InChIKey is GBFGNAKEFLQSPT-ROXHDUTJSA-N. The full InChI is InChI=1S/C48H35N5O4.Ni/c1-54-30-11-5-27(6-12-30)44-35-19-20-36(49-35)45(28-7-13-31(55-2)14-8-28)38-23-24-40(51-38)47-34-18-17-33(57-4)25-41(34)52-43-26-42(53-48(43)47)46(39-22-21-37(44)50-39)29-9-15-32(56-3)16-10-29;/h5-26,52H,1-4H3;/q-2;+2/b44-35-,44-37-,45-36-,45-38-,46-39-,46-42-,47-40-;.
What are the key properties of 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+)?
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+) has a molecular weight of 804.53 g/mol, XLogP of 10.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 135524213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).