aluminum;(10Z,28Z)-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

C32H18AlClN8 — CID 138394857

IUPACaluminum;(10Z,28Z)-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
SMILES[Al+3].[Cl-].c1ccc2c(c1)C1=NC2/N=c2\[n-]/c(c3ccccc23)=N\C2=NC(/N=c3\[n-]/c(c4ccccc34)=N\1)c1ccccc12
InChIInChI=1S/C32H18N8.Al.ClH/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;;/h1-16,25,32H;;1H/q-2;+3;/p-1
InChIKeyWGUYKBRYAXIQME-UHFFFAOYSA-M
MW576.99 g/mol
LogP-0.36
Rot. Bonds

About aluminum;(10Z,28Z)-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

aluminum;(10Z,28Z)-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 (PubChem CID 138394857) has the molecular formula C32H18AlClN8 and a molecular weight of 576.99 g/mol. Its IUPAC name is aluminum;(10Z,28Z)-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.

Molecular Properties

Compound Namealuminum;(10Z,28Z)-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
PubChem CID138394857
Molecular FormulaC32H18AlClN8
Molecular Weight576.99 g/mol
Exact Mass576.12
IUPAC Namealuminum;(10Z,28Z)-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
SMILES[Al+3].[Cl-].c1ccc2c(c1)C1=NC2/N=c2\[n-]/c(c3ccccc23)=N\C2=NC(/N=c3\[n-]/c(c4ccccc34)=N\1)c1ccccc12
InChIInChI=1S/C32H18N8.Al.ClH/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;;/h1-16,25,32H;;1H/q-2;+3;/p-1
InChIKeyWGUYKBRYAXIQME-UHFFFAOYSA-M
XLogP-0.36
TPSA102.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.99
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze aluminum;(10Z,28Z)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of aluminum;(10Z,28Z)-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?
The IUPAC name of aluminum;(10Z,28Z)-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 138394857) is aluminum;(10Z,28Z)-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.
What is the SMILES notation for aluminum;(10Z,28Z)-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?
The canonical SMILES for aluminum;(10Z,28Z)-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 is [Al+3].[Cl-].c1ccc2c(c1)C1=NC2/N=c2\[n-]/c(c3ccccc23)=N\C2=NC(/N=c3\[n-]/c(c4ccccc34)=N\1)c1ccccc12.
What is the InChIKey of aluminum;(10Z,28Z)-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?
The InChIKey is WGUYKBRYAXIQME-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H18N8.Al.ClH/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;;/h1-16,25,32H;;1H/q-2;+3;/p-1.
What are the key properties of aluminum;(10Z,28Z)-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?
aluminum;(10Z,28Z)-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 has a molecular weight of 576.99 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;(10Z,28Z)-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 is sourced from PubChem (CID 138394857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).