N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

C35H27N5OPt — CID 153411436

About N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 153411436) has the molecular formula C35H27N5OPt and a molecular weight of 728.71 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• PubChem CID: 153411436
• Molecular Formula: C35H27N5OPt
• Molecular Weight: 728.71 g/mol
• Exact Mass: 728.19
• IUPAC Name: N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• SMILES: CC(C)(C)c1ccc(N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2)c2ccccn2)cc1.[Pt+2]
• InChI: InChI=1S/C35H27N5O.Pt/c1-35(2,3)24-14-16-25(17-15-24)40(33-13-6-7-20-36-33)26-9-8-10-27(21-26)41-28-18-19-29-30-11-4-5-12-32(30)39-23-37-38-34(39)31(29)22-28;/h4-20,23H,1-3H3;/q-2;+2
• InChIKey: FECBRUNVUDQQFS-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 55.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.71
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The IUPAC name of N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (CID 153411436) is N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is CC(C)(C)c1ccc(N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3cnnc43)ccc2)c2ccccn2)cc1.[Pt+2].

What is the InChIKey of N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The InChIKey is FECBRUNVUDQQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5O.Pt/c1-35(2,3)24-14-16-25(17-15-24)40(33-13-6-7-20-36-33)26-9-8-10-27(21-26)41-28-18-19-29-30-11-4-5-12-32(30)39-23-37-38-34(39)31(29)22-28;/h4-20,23H,1-3H3;/q-2;+2.

What are the key properties of N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 728.71 g/mol, XLogP of 8.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[3-(12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yloxy)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153411436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).