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+)

C40H33N5O2Pd — CID 139159026

IUPAC18-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+)
SMILESCN1CCOc2ccccc2/N=C/c2ccc([n-]2)C2(c3ccc([n-]3)/C=N/c3ccccc3OCC1)c1ccccc1-c1ccccc12.[Pd+2]
InChIInChI=1S/C40H33N5O2.Pd/c1-45-22-24-46-36-16-8-6-14-34(36)41-26-28-18-20-38(43-28)40(32-12-4-2-10-30(32)31-11-3-5-13-33(31)40)39-21-19-29(44-39)27-42-35-15-7-9-17-37(35)47-25-23-45;/h2-21,26-27H,22-25H2,1H3;/q-2;+2/b41-26+,42-27+;
InChIKeyMEXHIKSCAGJHDL-ZBLNLSOJSA-N
MW722.16 g/mol
LogP7.17
Rot. Bonds

About 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+)

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+) (PubChem CID 139159026) has the molecular formula C40H33N5O2Pd and a molecular weight of 722.16 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name18-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+)
PubChem CID139159026
Molecular FormulaC40H33N5O2Pd
Molecular Weight722.16 g/mol
Exact Mass721.17
IUPAC Name18-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+)
SMILESCN1CCOc2ccccc2/N=C/c2ccc([n-]2)C2(c3ccc([n-]3)/C=N/c3ccccc3OCC1)c1ccccc1-c1ccccc12.[Pd+2]
InChIInChI=1S/C40H33N5O2.Pd/c1-45-22-24-46-36-16-8-6-14-34(36)41-26-28-18-20-38(43-28)40(32-12-4-2-10-30(32)31-11-3-5-13-33(31)40)39-21-19-29(44-39)27-42-35-15-7-9-17-37(35)47-25-23-45;/h2-21,26-27H,22-25H2,1H3;/q-2;+2/b41-26+,42-27+;
InChIKeyMEXHIKSCAGJHDL-ZBLNLSOJSA-N
XLogP7.17
TPSA74.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.16
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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+) with MolForge

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Related Compounds

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
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
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
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
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-phenyl-2-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-ylphenyl)-2H-1,3-benzoxazole
CID 140910466
10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)
CID 166050797
CID 172127740
CID 172127740
CID 172127948
CID 172127948
Spiro[15,18,21,24,27-pentaoxa-8,34,39,40-tetrazapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene-2,9'-fluorene]
CID 102307448
18-Methylspiro[15,21-dioxa-8,18,28,33,34-pentazapentacyclo[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 102307451

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CN1CCOc2ccccc2/N=C/c2ccc([n-]2)C2(c3ccc([n-]3)/C=N/c3ccccc3OCC1)c1ccccc1-c1ccccc12.[Pd+2].
What is the InChIKey of 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+)?
The InChIKey is MEXHIKSCAGJHDL-ZBLNLSOJSA-N. The full InChI is InChI=1S/C40H33N5O2.Pd/c1-45-22-24-46-36-16-8-6-14-34(36)41-26-28-18-20-38(43-28)40(32-12-4-2-10-30(32)31-11-3-5-13-33(31)40)39-21-19-29(44-39)27-42-35-15-7-9-17-37(35)47-25-23-45;/h2-21,26-27H,22-25H2,1H3;/q-2;+2/b41-26+,42-27+;.
What are the key properties of 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+)?
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+) has a molecular weight of 722.16 g/mol, XLogP of 7.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 139159026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).