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

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

4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 177110215) has the molecular formula C47H44F3N2O2Pt- and a molecular weight of 920.95 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name	4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum
PubChem CID	177110215
Molecular Formula	C47H44F3N2O2Pt-
Molecular Weight	920.95 g/mol
Exact Mass	920.30
IUPAC Name	4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum
SMILES	Cc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5oc(-c6cc(C(C)(C)C)ccc6O)nc45)ccc3)cc(C(C(C)C)C(C)C)cc12.[Pt]
InChI	InChI=1S/C47H44F3N2O2.Pt/c1-26(2)42(27(3)4)33-22-36-28(5)18-19-51-43(36)37(23-33)30-10-9-11-31(20-30)38-21-32(29-12-14-34(15-13-29)47(48,49)50)24-41-44(38)52-45(54-41)39-25-35(46(6,7)8)16-17-40(39)53;/h9-19,21-27,42,53H,1-8H3;/q-1;
InChIKey	HPCOLJCICBLJIE-UHFFFAOYSA-N
XLogP	13.57
TPSA	59.15 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.95
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum?

The IUPAC name of 4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 177110215) is 4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum.

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

The canonical SMILES for 4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum is Cc1ccnc2c(-c3[c-]c(-c4cc(-c5ccc(C(F)(F)F)cc5)cc5oc(-c6cc(C(C)(C)C)ccc6O)nc45)ccc3)cc(C(C(C)C)C(C)C)cc12.[Pt].

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

The InChIKey is HPCOLJCICBLJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44F3N2O2.Pt/c1-26(2)42(27(3)4)33-22-36-28(5)18-19-51-43(36)37(23-33)30-10-9-11-31(20-30)38-21-32(29-12-14-34(15-13-29)47(48,49)50)24-41-44(38)52-45(54-41)39-25-35(46(6,7)8)16-17-40(39)53;/h9-19,21-27,42,53H,1-8H3;/q-1;.

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

4-tert-butyl-2-[4-[3-[6-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 920.95 g/mol, XLogP of 13.57, 7 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-(2,4-dimethylpentan-3-yl)-4-methylquinolin-8-yl]benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).