2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum

C54H51N2O3Pt- — CID 164772136

IUPAC2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4oc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)c3oc4c5ccccc5ccc4c3c2)c1.[Pt]
InChIInChI=1S/C54H51N2O3.Pt/c1-30(2)36-17-13-18-37(31(3)4)47(36)33-23-24-55-45(27-33)34-25-41(51-42(26-34)40-22-21-32-15-11-12-16-38(32)50(40)59-51)39-19-14-20-46-48(39)56-52(58-46)43-28-35(53(5,6)7)29-44(49(43)57)54(8,9)10;/h11-24,26-31,57H,1-10H3;/q-1;
InChIKeyVHIDXSNNHPEDCO-UHFFFAOYSA-N
MW971.09 g/mol
LogP15.29
Rot. Bonds6

About 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum (PubChem CID 164772136) has the molecular formula C54H51N2O3Pt- and a molecular weight of 971.09 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
PubChem CID164772136
Molecular FormulaC54H51N2O3Pt-
Molecular Weight971.09 g/mol
Exact Mass970.36
IUPAC Name2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4oc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)c3oc4c5ccccc5ccc4c3c2)c1.[Pt]
InChIInChI=1S/C54H51N2O3.Pt/c1-30(2)36-17-13-18-37(31(3)4)47(36)33-23-24-55-45(27-33)34-25-41(51-42(26-34)40-22-21-32-15-11-12-16-38(32)50(40)59-51)39-19-14-20-46-48(39)56-52(58-46)43-28-35(53(5,6)7)29-44(49(43)57)54(8,9)10;/h11-24,26-31,57H,1-10H3;/q-1;
InChIKeyVHIDXSNNHPEDCO-UHFFFAOYSA-N
XLogP15.29
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.09
LogP ≤ 515.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum with MolForge

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Related Compounds

1-[4-[4-Methyl-3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;platinum
CID 177110120
2-[4-[3-(6-Tert-butylquinolin-8-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110173
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
4-Tert-butyl-2-[6-[difluoro(phenyl)methyl]-4-[3-(8-methyl-1,5-naphthyridin-4-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110462
2-[4-[3-Tert-butyl-5-[6-[difluoro(phenyl)methyl]quinolin-8-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110548
Platinum;2-[4-[3-[6-(trifluoromethyl)quinolin-8-yl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol
CID 177110673
4-Tert-butyl-2-[4-[3-(6-tert-butyl-4-methylquinolin-8-yl)benzene-2-id-1-yl]-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177111016
10,11-Bis-(1,3-benzoxazol-2-yl)-1,3,4,6,8,13-hexahydroxy-phenanthro[1,10,9,8-opqra]perylene-7,14-dione
CID 137228105
ZINC;acetonitrile;3-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,3-benzoxazol-2-yl]naphthalen-2-ol;diperchlorate
CID 139137666
Bis(1-(1,3-benzoxazol-2-yl)naphthalen-2-olate);hafnium(4+);bis(2-methylpropan-2-olate)
CID 139173225
Tris(3-(1,3-benzoxazol-2-yl)naphthalen-2-olate);ethoxyethane;scandium(3+)
CID 139199026
2-(1,3-Benzoxazol-2-yl)phenol;iridium;bis(1-phenylisoquinoline)
CID 139258425

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum (CID 164772136) is 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum is CC(C)c1cccc(C(C)C)c1-c1ccnc(-c2[c-]c(-c3cccc4oc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)c3oc4c5ccccc5ccc4c3c2)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?
The InChIKey is VHIDXSNNHPEDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51N2O3.Pt/c1-30(2)36-17-13-18-37(31(3)4)47(36)33-23-24-55-45(27-33)34-25-41(51-42(26-34)40-22-21-32-15-11-12-16-38(32)50(40)59-51)39-19-14-20-46-48(39)56-52(58-46)43-28-35(53(5,6)7)29-44(49(43)57)54(8,9)10;/h11-24,26-31,57H,1-10H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum has a molecular weight of 971.09 g/mol, XLogP of 15.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[8-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]-1,3-benzoxazol-2-yl]phenol;platinum is sourced from PubChem (CID 164772136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).