N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)

C43H34N4OPt — CID 170933449

About N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)

N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 170933449) has the molecular formula C43H34N4OPt and a molecular weight of 817.85 g/mol. Its IUPAC name is N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 170933449
• Molecular Formula: C43H34N4OPt
• Molecular Weight: 817.85 g/mol
• Exact Mass: 817.24
• IUPAC Name: N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: CC(C)(C)c1ccc(N(c2[c-]c(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)ccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc1.[Pt+2]
• InChI: InChI=1S/C43H34N4O.Pt/c1-43(2,3)30-18-20-31(21-19-30)46(32-13-10-12-29(25-32)42-45-41-34-14-5-4-11-28(34)26-39(41)48-42)33-22-23-36-35-15-6-7-16-37(35)47(38(36)27-33)40-17-8-9-24-44-40;/h4-24,39,41H,26H2,1-3H3;/q-2;+2/t39-,41+;/m0./s1
• InChIKey: HVFMTANJTYOPJV-IZLIUGJNSA-N
• XLogP: 9.99
• TPSA: 42.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.85
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+) (CID 170933449) is N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+) is CC(C)(C)c1ccc(N(c2[c-]c(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)ccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cc1.[Pt+2].

What is the InChIKey of N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is HVFMTANJTYOPJV-IZLIUGJNSA-N. The full InChI is InChI=1S/C43H34N4O.Pt/c1-43(2,3)30-18-20-31(21-19-30)46(32-13-10-12-29(25-32)42-45-41-34-14-5-4-11-28(34)26-39(41)48-42)33-22-23-36-35-15-6-7-16-37(35)47(38(36)27-33)40-17-8-9-24-44-40;/h4-24,39,41H,26H2,1-3H3;/q-2;+2/t39-,41+;/m0./s1.

What are the key properties of N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+)?

N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 817.85 g/mol, XLogP of 9.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-N-(4-tert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 170933449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).