5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

C33H39N5Pt — CID 140774321

IUPAC5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC12CCC(c3c1c[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3C1=NC=CCC1)C2(C)C.[Pt+2]
InChIInChI=1S/C17H19N2.C16H20N3.Pt/c1-16(2)11-7-8-17(16,3)12-10-19-15(14(11)12)13-6-4-5-9-18-13;1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h4-6,9-11H,7-8H2,1-3H3;5,9-10H,4,6-8H2,1-3H3;/q2*-1;+2
InChIKeyPHTVJYXTCJCUKV-UHFFFAOYSA-N
MW700.79 g/mol
LogP7.19
Rot. Bonds2

About 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 140774321) has the molecular formula C33H39N5Pt and a molecular weight of 700.79 g/mol. Its IUPAC name is 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID140774321
Molecular FormulaC33H39N5Pt
Molecular Weight700.79 g/mol
Exact Mass700.29
IUPAC Name5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC12CCC(c3c1c[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3C1=NC=CCC1)C2(C)C.[Pt+2]
InChIInChI=1S/C17H19N2.C16H20N3.Pt/c1-16(2)11-7-8-17(16,3)12-10-19-15(14(11)12)13-6-4-5-9-18-13;1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h4-6,9-11H,7-8H2,1-3H3;5,9-10H,4,6-8H2,1-3H3;/q2*-1;+2
InChIKeyPHTVJYXTCJCUKV-UHFFFAOYSA-N
XLogP7.19
TPSA66.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.79
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene with MolForge

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Related Compounds

US11008312, Example 76
CID 139432226
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
3-Methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 147381409
3-Methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;platinum(2+);5-(2,4,6-trimethylphenyl)-2-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 157079930
Bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157338624
Bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 157648570
Bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 157696244
Bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 159166388
Bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 159964420
Bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 160380341
bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;3-(7-methyl-7-propan-2-yl-5,6-dihydro-4H-indazol-2-id-3-yl)isoquinoline;tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
CID 160784544
Bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 160956420

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (CID 140774321) is 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is CC12CCC(c3c1c[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3C1=NC=CCC1)C2(C)C.[Pt+2].
What is the InChIKey of 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is PHTVJYXTCJCUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2.C16H20N3.Pt/c1-16(2)11-7-8-17(16,3)12-10-19-15(14(11)12)13-6-4-5-9-18-13;1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h4-6,9-11H,7-8H2,1-3H3;5,9-10H,4,6-8H2,1-3H3;/q2*-1;+2.
What are the key properties of 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?
5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 700.79 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydropyridin-2-yl)-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+);1,10,10-trimethyl-5-pyridin-2-yl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 140774321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).