bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))

C64H70N10O4Pd2 — CID 139159024

IUPACbis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))
SMILESCCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.[Pd+2].[Pd+2]
InChIInChI=1S/2C32H35N5O2.2Pd/c2*1-4-32(5-2)30-16-14-24(35-30)22-33-26-10-6-8-12-28(26)38-20-18-37(3)19-21-39-29-13-9-7-11-27(29)34-23-25-15-17-31(32)36-25;;/h2*6-17,22-23H,4-5,18-21H2,1-3H3;;/q2*-2;2*+2/b2*33-22+,34-23+;;
InChIKeySDIGUDCLMBVTHQ-ZATDTLAFSA-N
MW1256.17 g/mol
LogP11.82
Rot. Bonds4

About bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))

bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) (PubChem CID 139159024) has the molecular formula C64H70N10O4Pd2 and a molecular weight of 1256.17 g/mol. Its IUPAC name is bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)).

Molecular Properties

Compound Namebis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))
PubChem CID139159024
Molecular FormulaC64H70N10O4Pd2
Molecular Weight1256.17 g/mol
Exact Mass1254.37
IUPAC Namebis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))
SMILESCCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.[Pd+2].[Pd+2]
InChIInChI=1S/2C32H35N5O2.2Pd/c2*1-4-32(5-2)30-16-14-24(35-30)22-33-26-10-6-8-12-28(26)38-20-18-37(3)19-21-39-29-13-9-7-11-27(29)34-23-25-15-17-31(32)36-25;;/h2*6-17,22-23H,4-5,18-21H2,1-3H3;;/q2*-2;2*+2/b2*33-22+,34-23+;;
InChIKeySDIGUDCLMBVTHQ-ZATDTLAFSA-N
XLogP11.82
TPSA149.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001256.17
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) with MolForge

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Related Compounds

Bis(2,2-diethyl-18-(2,4,6-trimethylphenyl)-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);hexane;bis(palladium(2+))
CID 139159025
18-Methylspiro[15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene-2,9'-fluorene];palladium(2+)
CID 139159026
Bis(cobalt(2+));bis(2,2-diethyl-18-(2,4,6-trimethylphenyl)-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);hexane
CID 139159031
Benzene;tetrakis(iron(2+));bis(2,2,40,40-tetraethyl-15,18,21,24,27,53,56,59,62,65-decaoxa-8,34,46,72-tetraza-77,78,79,80-tetrazanidanonacyclo[72.2.1.13,6.136,39.141,44.09,14.028,33.047,52.066,71]octaconta-1(76),3,5,7,9,11,13,28,30,32,34,36,38,41,43,45,47,49,51,66,68,70,72,74-tetracosaene)
CID 139159032
CID 139159034
CID 139159034
Bis(cobalt(2+));2,2,34,34-tetraethyl-18,50-dimethyl-15,21,47,53-tetraoxa-8,18,28,40,50,60-hexaza-65,66,67,68-tetrazanidanonacyclo[60.2.1.13,6.130,33.135,38.09,14.022,27.041,46.054,59]octahexaconta-1(64),3,5,7,9,11,13,22,24,26,28,30,32,35,37,39,41,43,45,54,56,58,60,62-tetracosaene
CID 139159035
Bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)
CID 139181795
Dipotassium;benzene;2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diazonia-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene
CID 168347851
Oxidanium;benzene;cobalt(2+);18-methylspiro[15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene-2,9'-fluorene]
CID 168347852
3-[6-[2-[6-(2,6-dimethoxy-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-dimethoxy-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-diphenoxy-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-diphenoxy-4H-pyridin-4-ide;2-methyl-3-[6-[2-[6-(2-methyl-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tris(platinum(2+))
CID 160379401
zinc N,N-diethyl-2-[4-[10,15,20-tris[4-[2-(diethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]ethanamine
CID 6520744
ZINC 4-[2-[4-[10,15,20-tris[4-(2-morpholin-4-ylethoxy)phenyl]porphyrin-21,22-diid-5-yl]phenoxy]ethyl]morpholine
CID 6535449

Frequently Asked Questions

What is the IUPAC name of bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))?
The IUPAC name of bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) (CID 139159024) is bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)).
What is the SMILES notation for bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))?
The canonical SMILES for bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) is CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCN(C)CCOc2ccccc2/N=C/c2ccc1[n-]2.[Pd+2].[Pd+2].
What is the InChIKey of bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))?
The InChIKey is SDIGUDCLMBVTHQ-ZATDTLAFSA-N. The full InChI is InChI=1S/2C32H35N5O2.2Pd/c2*1-4-32(5-2)30-16-14-24(35-30)22-33-26-10-6-8-12-28(26)38-20-18-37(3)19-21-39-29-13-9-7-11-27(29)34-23-25-15-17-31(32)36-25;;/h2*6-17,22-23H,4-5,18-21H2,1-3H3;;/q2*-2;2*+2/b2*33-22+,34-23+;;.
What are the key properties of bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+))?
bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) has a molecular weight of 1256.17 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-diethyl-18-methyl-15,21-dioxa-8,18,28-triaza-33,34-diazanidapentacyclo[28.2.1.13,6.09,14.022,27]tetratriaconta-1(32),3,5,7,9,11,13,22,24,26,28,30-dodecaene);bis(palladium(2+)) is sourced from PubChem (CID 139159024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).