neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride

C32H36ClN2Np-3 — CID 118987373

IUPACneptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride
SMILESCC1(C)c2cccc(c2)C(C)(C)c2ccc([n-]2)C(C)(C)c2cccc(c2)C(C)(C)c2ccc1[n-]2.[Cl-].[Np]
InChIInChI=1S/C32H36N2.ClH.Np/c1-29(2)21-11-9-12-22(19-21)30(3,4)27-17-18-28(34-27)32(7,8)24-14-10-13-23(20-24)31(5,6)26-16-15-25(29)33-26;;/h9-20H,1-8H3;1H;/q-2;;/p-1
InChIKeyKLECYZNKOHHVIO-UHFFFAOYSA-M
MW721.11 g/mol
LogP4.22
Rot. Bonds

About neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride

neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride (PubChem CID 118987373) has the molecular formula C32H36ClN2Np-3 and a molecular weight of 721.11 g/mol. Its IUPAC name is neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride.

Molecular Properties

Compound Nameneptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride
PubChem CID118987373
Molecular FormulaC32H36ClN2Np-3
Molecular Weight721.11 g/mol
Exact Mass719.30
IUPAC Nameneptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride
SMILESCC1(C)c2cccc(c2)C(C)(C)c2ccc([n-]2)C(C)(C)c2cccc(c2)C(C)(C)c2ccc1[n-]2.[Cl-].[Np]
InChIInChI=1S/C32H36N2.ClH.Np/c1-29(2)21-11-9-12-22(19-21)30(3,4)27-17-18-28(34-27)32(7,8)24-14-10-13-23(20-24)31(5,6)26-16-15-25(29)33-26;;/h9-20H,1-8H3;1H;/q-2;;/p-1
InChIKeyKLECYZNKOHHVIO-UHFFFAOYSA-M
XLogP4.22
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500721.11
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride?
The IUPAC name of neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride (CID 118987373) is neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride.
What is the SMILES notation for neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride?
The canonical SMILES for neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride is CC1(C)c2cccc(c2)C(C)(C)c2ccc([n-]2)C(C)(C)c2cccc(c2)C(C)(C)c2ccc1[n-]2.[Cl-].[Np].
What is the InChIKey of neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride?
The InChIKey is KLECYZNKOHHVIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H36N2.ClH.Np/c1-29(2)21-11-9-12-22(19-21)30(3,4)27-17-18-28(34-27)32(7,8)24-14-10-13-23(20-24)31(5,6)26-16-15-25(29)33-26;;/h9-20H,1-8H3;1H;/q-2;;/p-1.
What are the key properties of neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride?
neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride has a molecular weight of 721.11 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for neptunium;2,2,7,7,13,13,18,18-octamethyl-24,26-diazanidapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3,5,8(25),9,11,14,16,19,21-decaene;chloride is sourced from PubChem (CID 118987373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).