3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)

C47H41N3OPt — CID 164939779

About 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)

3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) (PubChem CID 164939779) has the molecular formula C47H41N3OPt and a molecular weight of 858.94 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+).

Molecular Properties

• Compound Name: 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)
• PubChem CID: 164939779
• Molecular Formula: C47H41N3OPt
• Molecular Weight: 858.94 g/mol
• Exact Mass: 858.29
• IUPAC Name: 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)
• SMILES: CC(C)(C)Cc1ccc2c(ccc3c4ccnc(-c5[c-]c(N(c6[c-]c(-c7cc(C(C)(C)C)ccn7)ccc6)c6ccccc6)ccc5)c4oc23)c1.[Pt+2]
• InChI: InChI=1S/C47H41N3O.Pt/c1-46(2,3)30-31-18-20-39-32(26-31)19-21-40-41-23-25-49-43(45(41)51-44(39)40)34-13-11-17-38(28-34)50(36-14-8-7-9-15-36)37-16-10-12-33(27-37)42-29-35(22-24-48-42)47(4,5)6;/h7-26,29H,30H2,1-6H3;/q-2;+2
• InChIKey: VPOCJUIIDPEBRX-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.94
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?

The IUPAC name of 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) (CID 164939779) is 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+).

What is the SMILES notation for 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?

The canonical SMILES for 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) is CC(C)(C)Cc1ccc2c(ccc3c4ccnc(-c5[c-]c(N(c6[c-]c(-c7cc(C(C)(C)C)ccn7)ccc6)c6ccccc6)ccc5)c4oc23)c1.[Pt+2].

What is the InChIKey of 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?

The InChIKey is VPOCJUIIDPEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N3O.Pt/c1-46(2,3)30-31-18-20-39-32(26-31)19-21-40-41-23-25-49-43(45(41)51-44(39)40)34-13-11-17-38(28-34)50(36-14-8-7-9-15-36)37-16-10-12-33(27-37)42-29-35(22-24-48-42)47(4,5)6;/h7-26,29H,30H2,1-6H3;/q-2;+2.

What are the key properties of 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?

3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) has a molecular weight of 858.94 g/mol, XLogP of 12.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butyl-2-pyridinyl)-N-[3-[5-(2,2-dimethylpropyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-15-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 164939779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).