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

C32H36N6Pt — CID 23599661

IUPACplatinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
SMILESCC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.[Pt+2]
InChIInChI=1S/2C16H18N3.Pt/c2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h2*4-6,9-10H,7-8H2,1-3H3;/q2*-1;+2
InChIKeyUFKAVYSHILVSHQ-UHFFFAOYSA-N
MW699.76 g/mol
LogP6.55
Rot. Bonds2

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

platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 23599661) has the molecular formula C32H36N6Pt and a molecular weight of 699.76 g/mol. Its IUPAC name is platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

Compound Nameplatinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
PubChem CID23599661
Molecular FormulaC32H36N6Pt
Molecular Weight699.76 g/mol
Exact Mass699.26
IUPAC Nameplatinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
SMILESCC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.[Pt+2]
InChIInChI=1S/2C16H18N3.Pt/c2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h2*4-6,9-10H,7-8H2,1-3H3;/q2*-1;+2
InChIKeyUFKAVYSHILVSHQ-UHFFFAOYSA-N
XLogP6.55
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.76
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

US11008312, Example 76
CID 139432226
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
Bis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+)
CID 145727144
Bis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+)
CID 145727150
4-Tert-butyl-2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(4-tert-butyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);iridium(3+)
CID 145727152
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
1-(3-Tert-butylpyrazol-1-id-5-yl)-3-(5-ethyl-4-methylpyrazol-2-id-3-yl)isoquinoline;platinum(2+);4-(trifluoromethyl)pyridine
CID 156661714
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
2-(4-Tert-butyl-2-pyridinyl)-4-(2-methylpropyl)pyridine;iridium(3+);2-(5-methylpyrazol-2-id-3-yl)pyridine;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
CID 157094026
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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The IUPAC name of platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 23599661) is platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).
What is the SMILES notation for platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The canonical SMILES for platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.[Pt+2].
What is the InChIKey of platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
The InChIKey is UFKAVYSHILVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18N3.Pt/c2*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;/h2*4-6,9-10H,7-8H2,1-3H3;/q2*-1;+2.
What are the key properties of platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?
platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 699.76 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 23599661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).