(1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum

C47H52N3O2Pt- — CID 176815333

About (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum

(1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum (PubChem CID 176815333) has the molecular formula C47H52N3O2Pt- and a molecular weight of 886.03 g/mol. Its IUPAC name is (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum.

Molecular Properties

• Compound Name: (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum
• PubChem CID: 176815333
• Molecular Formula: C47H52N3O2Pt-
• Molecular Weight: 886.03 g/mol
• Exact Mass: 885.37
• IUPAC Name: (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(C3=C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)[C@H]3O)nc3c(-c4[c-]c(C5=N[C@@H]6c7ccccc7C[C@@H]6O5)ccc4)cccc32)cc1.[Pt]
• InChI: InChI=1S/C47H52N3O2.Pt/c1-45(2,3)31-20-22-33(23-21-31)50-38-19-13-18-34(40(38)48-43(50)36-26-32(46(4,5)6)27-37(42(36)51)47(7,8)9)28-15-12-16-30(24-28)44-49-41-35-17-11-10-14-29(35)25-39(41)52-44;/h10-23,26,32,37,39,41-42,51H,25,27H2,1-9H3;/q-1;/t32-,37-,39+,41-,42+;/m1./s1
• InChIKey: BUZQVNJWFPQNCS-HUAKTISZSA-N
• XLogP: 10.70
• TPSA: 59.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.03
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	1
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 (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum?

The IUPAC name of (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum (CID 176815333) is (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum.

What is the SMILES notation for (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum?

The canonical SMILES for (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum is CC(C)(C)c1ccc(-n2c(C3=C[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)[C@H]3O)nc3c(-c4[c-]c(C5=N[C@@H]6c7ccccc7C[C@@H]6O5)ccc4)cccc32)cc1.[Pt].

What is the InChIKey of (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum?

The InChIKey is BUZQVNJWFPQNCS-HUAKTISZSA-N. The full InChI is InChI=1S/C47H52N3O2.Pt/c1-45(2,3)31-20-22-33(23-21-31)50-38-19-13-18-34(40(38)48-43(50)36-26-32(46(4,5)6)27-37(42(36)51)47(7,8)9)28-15-12-16-30(24-28)44-49-41-35-17-11-10-14-29(35)25-39(41)52-44;/h10-23,26,32,37,39,41-42,51H,25,27H2,1-9H3;/q-1;/t32-,37-,39+,41-,42+;/m1./s1.

What are the key properties of (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum?

(1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum has a molecular weight of 886.03 g/mol, XLogP of 10.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4S,6S)-2-[4-[3-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]benzene-2-id-1-yl]-1-(4-tert-butylphenyl)benzimidazol-2-yl]-4,6-ditert-butylcyclohex-2-en-1-ol;platinum is sourced from PubChem (CID 176815333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).