4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum

C52H49N2O2Pt- — CID 177110611

About 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110611) has the molecular formula C52H49N2O2Pt- and a molecular weight of 929.05 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110611
• Molecular Formula: C52H49N2O2Pt-
• Molecular Weight: 929.05 g/mol
• Exact Mass: 928.34
• IUPAC Name: 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-c2ccnc3c(-c4[c-]c(-c5cc(-c6ccccc6)cc6oc(-c7cc(C(C)(C)C)ccc7O)nc56)ccc4)cc(C(C)(C)C)cc23)cc1.[Pt]
• InChI: InChI=1S/C52H49N2O2.Pt/c1-50(2,3)37-20-18-33(19-21-37)40-24-25-53-47-42(30-39(31-43(40)47)52(7,8)9)35-17-13-16-34(26-35)41-27-36(32-14-11-10-12-15-32)28-46-48(41)54-49(56-46)44-29-38(51(4,5)6)22-23-45(44)55;/h10-25,27-31,55H,1-9H3;/q-1
• InChIKey: MAOSRGRYLFKBQD-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.05
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	1
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 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110611) is 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum.

What is the SMILES notation for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum?

The canonical SMILES for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-c2ccnc3c(-c4[c-]c(-c5cc(-c6ccccc6)cc6oc(-c7cc(C(C)(C)C)ccc7O)nc56)ccc4)cc(C(C)(C)C)cc23)cc1.[Pt].

What is the InChIKey of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum?

The InChIKey is MAOSRGRYLFKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49N2O2.Pt/c1-50(2,3)37-20-18-33(19-21-37)40-24-25-53-47-42(30-39(31-43(40)47)52(7,8)9)35-17-13-16-34(26-35)41-27-36(32-14-11-10-12-15-32)28-46-48(41)54-49(56-46)44-29-38(51(4,5)6)22-23-45(44)55;/h10-25,27-31,55H,1-9H3;/q-1;.

What are the key properties of 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum?

4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 929.05 g/mol, XLogP of 14.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-[3-[6-tert-butyl-4-(4-tert-butylphenyl)quinolin-8-yl]benzene-2-id-1-yl]-6-phenyl-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).