10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum

C22H26NPt- — CID 58983425

IUPAC10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum
SMILESCC1(C)C2CC3CC(c4[c-]cc5c(c4)CCCC5)=NC=C3C1C2.[Pt]
InChIInChI=1S/C22H26N.Pt/c1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;/h7,9,13,17-18,20H,3-6,10-12H2,1-2H3;/q-1;
InChIKeyLIXDRCMBWBARHJ-UHFFFAOYSA-N
MW499.54 g/mol
LogP5.12
Rot. Bonds1

About 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum

10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum (PubChem CID 58983425) has the molecular formula C22H26NPt- and a molecular weight of 499.54 g/mol. Its IUPAC name is 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum.

Molecular Properties

Compound Name10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum
PubChem CID58983425
Molecular FormulaC22H26NPt-
Molecular Weight499.54 g/mol
Exact Mass499.17
IUPAC Name10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum
SMILESCC1(C)C2CC3CC(c4[c-]cc5c(c4)CCCC5)=NC=C3C1C2.[Pt]
InChIInChI=1S/C22H26N.Pt/c1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;/h7,9,13,17-18,20H,3-6,10-12H2,1-2H3;/q-1;
InChIKeyLIXDRCMBWBARHJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum?
The IUPAC name of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum (CID 58983425) is 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum.
What is the SMILES notation for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum?
The canonical SMILES for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum is CC1(C)C2CC3CC(c4[c-]cc5c(c4)CCCC5)=NC=C3C1C2.[Pt].
What is the InChIKey of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum?
The InChIKey is LIXDRCMBWBARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N.Pt/c1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;/h7,9,13,17-18,20H,3-6,10-12H2,1-2H3;/q-1;.
What are the key properties of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum?
10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum has a molecular weight of 499.54 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4-diene;platinum is sourced from PubChem (CID 58983425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).