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

C38H30N3O2Pt- — CID 177110149

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

2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110149) has the molecular formula C38H30N3O2Pt- and a molecular weight of 755.76 g/mol. Its IUPAC name is 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum
• PubChem CID: 177110149
• Molecular Formula: C38H30N3O2Pt-
• Molecular Weight: 755.76 g/mol
• Exact Mass: 755.20
• IUPAC Name: 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum
• SMILES: Cc1cc(-c2[c-]c(-c3cc(-c4cccnc4)cc4oc(-c5ccccc5O)nc34)ccc2)c2nccc(C(C)(C)C)c2c1.[Pt]
• InChI: InChI=1S/C38H30N3O2.Pt/c1-23-17-29(35-31(18-23)32(14-16-40-35)38(2,3)4)24-9-7-10-25(19-24)30-20-27(26-11-8-15-39-22-26)21-34-36(30)41-37(43-34)28-12-5-6-13-33(28)42;/h5-18,20-22,42H,1-4H3;/q-1
• InChIKey: JZXRAMWFKGIPCT-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 72.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.76
LogP ≤ 5	9.55
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 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110149) is 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum is Cc1cc(-c2[c-]c(-c3cc(-c4cccnc4)cc4oc(-c5ccccc5O)nc34)ccc2)c2nccc(C(C)(C)C)c2c1.[Pt].

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

The InChIKey is JZXRAMWFKGIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N3O2.Pt/c1-23-17-29(35-31(18-23)32(14-16-40-35)38(2,3)4)24-9-7-10-25(19-24)30-20-27(26-11-8-15-39-22-26)21-34-36(30)41-37(43-34)28-12-5-6-13-33(28)42;/h5-18,20-22,42H,1-4H3;/q-1;.

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

2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 755.76 g/mol, XLogP of 9.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(4-tert-butyl-6-methylquinolin-8-yl)benzene-2-id-1-yl]-6-pyridin-3-yl-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).