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-4,6,8,22,24,26-hexaene;tin(4+);dichloride

C32H42Cl2N8Sn — CID 134068102

IUPAC2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-4,6,8,22,24,26-hexaene;tin(4+);dichloride
SMILES[Cl-].[Cl-].[Sn+4].c1ccc2c(c1)C1NC2NC2[N-]C(NC3NC(NC4[N-]C(N1)C1CCCCC41)c1ccccc13)C1CCCCC21
InChIInChI=1S/C32H42N8.2ClH.Sn/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;;;/h1-2,7-10,15-16,19-22,25-33,36-40H,3-6,11-14H2;2*1H;/q-2;;;+4/p-2
InChIKeyCNPCQOHFBLCGEI-UHFFFAOYSA-L
MW728.36 g/mol
LogP-1.72
Rot. Bonds

About 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride

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-4,6,8,22,24,26-hexaene;tin(4+);dichloride (PubChem CID 134068102) has the molecular formula C32H42Cl2N8Sn and a molecular weight of 728.36 g/mol. Its IUPAC name is 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride.

Molecular Properties

Compound Name2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-4,6,8,22,24,26-hexaene;tin(4+);dichloride
PubChem CID134068102
Molecular FormulaC32H42Cl2N8Sn
Molecular Weight728.36 g/mol
Exact Mass728.19
IUPAC Name2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-4,6,8,22,24,26-hexaene;tin(4+);dichloride
SMILES[Cl-].[Cl-].[Sn+4].c1ccc2c(c1)C1NC2NC2[N-]C(NC3NC(NC4[N-]C(N1)C1CCCCC41)c1ccccc13)C1CCCCC21
InChIInChI=1S/C32H42N8.2ClH.Sn/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;;;/h1-2,7-10,15-16,19-22,25-33,36-40H,3-6,11-14H2;2*1H;/q-2;;;+4/p-2
InChIKeyCNPCQOHFBLCGEI-UHFFFAOYSA-L
XLogP-1.72
TPSA100.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.36
LogP ≤ 5-1.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride with MolForge

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Related Compounds

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-4,6,8,22,24,26-hexaene;manganese(2+)
CID 134067824
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-4,6,8,22,24,26-hexaene;nickel(2+)
CID 134068088
9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
CID 605597
(12S,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 124909591
(12R,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 98159522
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]tetracontane;yttrium
CID 173092154
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439
1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
CID 177158601
(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 15685656
iron;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]tetracontane;bis(pyridine)
CID 173038888

Frequently Asked Questions

What is the IUPAC name of 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride?
The IUPAC name of 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride (CID 134068102) is 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride.
What is the SMILES notation for 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride?
The canonical SMILES for 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride is [Cl-].[Cl-].[Sn+4].c1ccc2c(c1)C1NC2NC2[N-]C(NC3NC(NC4[N-]C(N1)C1CCCCC41)c1ccccc13)C1CCCCC21.
What is the InChIKey of 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride?
The InChIKey is CNPCQOHFBLCGEI-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H42N8.2ClH.Sn/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;;;/h1-2,7-10,15-16,19-22,25-33,36-40H,3-6,11-14H2;2*1H;/q-2;;;+4/p-2.
What are the key properties of 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride?
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-4,6,8,22,24,26-hexaene;tin(4+);dichloride has a molecular weight of 728.36 g/mol, XLogP of -1.72, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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-4,6,8,22,24,26-hexaene;tin(4+);dichloride is sourced from PubChem (CID 134068102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).