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

C43H33N2O2Pt- — CID 177110960

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

2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110960) has the molecular formula C43H33N2O2Pt- and a molecular weight of 804.83 g/mol. Its IUPAC name is 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110960
• Molecular Formula: C43H33N2O2Pt-
• Molecular Weight: 804.83 g/mol
• Exact Mass: 804.22
• IUPAC Name: 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: Cc1ccnc2c(-c3[c-]c(-c4cc(-c5cccc6ccccc56)cc5oc(-c6ccccc6O)nc45)ccc3)cc(C(C)(C)C)cc12.[Pt]
• InChI: InChI=1S/C43H33N2O2.Pt/c1-26-19-20-44-40-35(26)24-31(43(2,3)4)25-37(40)29-14-9-13-28(21-29)36-22-30(33-17-10-12-27-11-5-6-15-32(27)33)23-39-41(36)45-42(47-39)34-16-7-8-18-38(34)46;/h5-20,22-25,46H,1-4H3;/q-1
• InChIKey: CCOPXUOKVHVTBZ-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.83
LogP ≤ 5	11.31
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 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110960) is 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cc(-c5cccc6ccccc56)cc5oc(-c6ccccc6O)nc45)ccc3)cc(C(C)(C)C)cc12.[Pt].

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

The InChIKey is CCOPXUOKVHVTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N2O2.Pt/c1-26-19-20-44-40-35(26)24-31(43(2,3)4)25-37(40)29-14-9-13-28(21-29)36-22-30(33-17-10-12-27-11-5-6-15-32(27)33)23-39-41(36)45-42(47-39)34-16-7-8-18-38(34)46;/h5-20,22-25,46H,1-4H3;/q-1;.

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

2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 804.83 g/mol, XLogP of 11.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-naphthalen-1-yl-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).