copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene

C32H20CuN8 — CID 58904298

IUPACcopper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene
SMILES[Cu+2].c1ccc2c(c1)C1=N/C2=N\C2[N-]/C(=N\C3=NC(NC4[N-]/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12
InChIInChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,27,30,37H;/q-2;+2
InChIKeyIVVVHUOTEMWHKR-UHFFFAOYSA-N
MW580.11 g/mol
LogP5.92
Rot. Bonds

About copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene

copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene (PubChem CID 58904298) has the molecular formula C32H20CuN8 and a molecular weight of 580.11 g/mol. Its IUPAC name is copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene.

Molecular Properties

Compound Namecopper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene
PubChem CID58904298
Molecular FormulaC32H20CuN8
Molecular Weight580.11 g/mol
Exact Mass579.11
IUPAC Namecopper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene
SMILES[Cu+2].c1ccc2c(c1)C1=N/C2=N\C2[N-]/C(=N\C3=NC(NC4[N-]/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12
InChIInChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,27,30,37H;/q-2;+2
InChIKeyIVVVHUOTEMWHKR-UHFFFAOYSA-N
XLogP5.92
TPSA102.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.11
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene with MolForge

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Related Compounds

(19Z,29Z)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,22,24,26,29,31,33,35-octadecaene
CID 25021863
Aluminum, chloro[29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32]-, (SP-5-12)-
CID 138394857
2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,22,24,26,29,31,33,35-octadecaene
CID 71150965
[2(3~1~)Z,4(5~1~)Z,5~3~(6)Z,7~3~(8)Z]-1~1~H,5~2~H-2,4,6,8-Tetraaza-1,3,5,7(1,3)-tetra(benzo[f]isoindola)cyclooctaphane-2,4,5,7-tetraene
CID 135993866
2,11,20,29,38,46,47,48,49,50-Decazaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21(48),22,24,26,28,30,32,34,37,39,41,43-tricosaene
CID 152743459
Aluminum;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,13,15,17,19(39),20,22,24,26,28,31,33,35-octadecaene;chloride
CID 155817537
2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,31,33,35-nonadecaene
CID 157770497
2,15,28,41,53,54,55,56-Octazatridecacyclo[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(56),15,17,19,21,23,25,27(55),28,30,32,34,36,38,40(54),43,45,47,49,51-heptacosaene
CID 170852240
12,12-Diphenyl-2,13-diaza-11-azonia-12-boranuidapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-10,14-diimine
CID 139177442
Copper;2,11,20,29-tetrazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,4,6,8,11,20,22,24,26,28-decaene;tetrachloride
CID 156596268
N-[[11,20-bis(diethylaminomethyl)-29-aza-2,11,20-triazonia-37,38,39,40-tetrazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,10,13,15,17,20,29,31,33,35-decaen-2-yl]methyl]-N-ethylethanamine;copper
CID 156600010
(1Z,28Z)-8,9,21,22,34,35-hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,15,28,40,41,42-hexazadecacyclo[27.10.1.13,14.116,27.04,13.06,11.017,26.019,24.030,39.032,37]dotetraconta-1,4(13),5,7,9,11,14(42),17(26),18,20,22,24,28,30(39),31,33,35,37-octadecaene
CID 177461970

Frequently Asked Questions

What is the IUPAC name of copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene?
The IUPAC name of copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene (CID 58904298) is copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene.
What is the SMILES notation for copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene?
The canonical SMILES for copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene is [Cu+2].c1ccc2c(c1)C1=N/C2=N\C2[N-]/C(=N\C3=NC(NC4[N-]/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12.
What is the InChIKey of copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene?
The InChIKey is IVVVHUOTEMWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,25,27,30,37H;/q-2;+2.
What are the key properties of copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene?
copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene has a molecular weight of 580.11 g/mol, XLogP of 5.92, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper (10Z)-2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,13,15,17,19,21(38),22,24,26,31,33,35-heptadecaene is sourced from PubChem (CID 58904298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).