lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate

C33H41Cl2N5O12Pb — CID 139129540

IUPAClead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate
SMILESC1=N\c2ccccc2CN2CCOCCOCCN(CCOCCOCC2)Cc2ccccc2/N=C\c2cccc/1n2.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pb+2]
InChIInChI=1S/C33H41N5O4.2ClHO4.Pb/c1-3-10-32-28(6-1)26-37-12-16-39-20-22-41-18-14-38(15-19-42-23-21-40-17-13-37)27-29-7-2-4-11-33(29)35-25-31-9-5-8-30(36-31)24-34-32;2*2-1(3,4)5;/h1-11,24-25H,12-23,26-27H2;2*(H,2,3,4,5);/q;;;+2/p-2/b34-24-,35-25-;;;
InChIKeyVFHDYJZPALRNKD-HPDRYMQOSA-L
MW977.82 g/mol
LogP-5.61
Rot. Bonds

About lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate

lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate (PubChem CID 139129540) has the molecular formula C33H41Cl2N5O12Pb and a molecular weight of 977.82 g/mol. Its IUPAC name is lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate.

Molecular Properties

Compound Namelead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate
PubChem CID139129540
Molecular FormulaC33H41Cl2N5O12Pb
Molecular Weight977.82 g/mol
Exact Mass977.19
IUPAC Namelead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate
SMILESC1=N\c2ccccc2CN2CCOCCOCCN(CCOCCOCC2)Cc2ccccc2/N=C\c2cccc/1n2.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pb+2]
InChIInChI=1S/C33H41N5O4.2ClHO4.Pb/c1-3-10-32-28(6-1)26-37-12-16-39-20-22-41-18-14-38(15-19-42-23-21-40-17-13-37)27-29-7-2-4-11-33(29)35-25-31-9-5-8-30(36-31)24-34-32;2*2-1(3,4)5;/h1-11,24-25H,12-23,26-27H2;2*(H,2,3,4,5);/q;;;+2/p-2/b34-24-,35-25-;;;
InChIKeyVFHDYJZPALRNKD-HPDRYMQOSA-L
XLogP-5.61
TPSA265.49 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.82
LogP ≤ 5-5.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate?
The IUPAC name of lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate (CID 139129540) is lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate.
What is the SMILES notation for lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate?
The canonical SMILES for lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate is C1=N\c2ccccc2CN2CCOCCOCCN(CCOCCOCC2)Cc2ccccc2/N=C\c2cccc/1n2.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Pb+2].
What is the InChIKey of lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate?
The InChIKey is VFHDYJZPALRNKD-HPDRYMQOSA-L. The full InChI is InChI=1S/C33H41N5O4.2ClHO4.Pb/c1-3-10-32-28(6-1)26-37-12-16-39-20-22-41-18-14-38(15-19-42-23-21-40-17-13-37)27-29-7-2-4-11-33(29)35-25-31-9-5-8-30(36-31)24-34-32;2*2-1(3,4)5;/h1-11,24-25H,12-23,26-27H2;2*(H,2,3,4,5);/q;;;+2/p-2/b34-24-,35-25-;;;.
What are the key properties of lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate?
lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate has a molecular weight of 977.82 g/mol, XLogP of -5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);28,31,36,39-tetraoxa-1,9,17,25,42-pentazapentacyclo[23.8.8.111,15.03,8.018,23]dotetraconta-3,5,7,9,11(42),12,14,16,18,20,22-undecaene;diperchlorate is sourced from PubChem (CID 139129540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).