(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)

C44H45N3O2Pt — CID 170934841

IUPAC(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCCCC(CCC)[C@@H]1COC(c2[c-]c(Oc3[c-]c(-n4c5ccc(C)cc5c5cccnc54)cc(C(C)(C)C)c3)cc(-c3ccccc3)c2)=N1.[Pt+2]
InChIInChI=1S/C44H45N3O2.Pt/c1-7-13-31(14-8-2)40-28-48-43(46-40)33-22-32(30-15-10-9-11-16-30)23-36(24-33)49-37-26-34(44(4,5)6)25-35(27-37)47-41-19-18-29(3)21-39(41)38-17-12-20-45-42(38)47;/h9-12,15-23,25-26,31,40H,7-8,13-14,28H2,1-6H3;/q-2;+2/t40-;/m0./s1
InChIKeyWYTMHACJLQXLPS-LMDYQTDMSA-N
MW842.94 g/mol
LogP11.20
Rot. Bonds10

About (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170934841) has the molecular formula C44H45N3O2Pt and a molecular weight of 842.94 g/mol. Its IUPAC name is (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)
PubChem CID170934841
Molecular FormulaC44H45N3O2Pt
Molecular Weight842.94 g/mol
Exact Mass842.32
IUPAC Name(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCCCC(CCC)[C@@H]1COC(c2[c-]c(Oc3[c-]c(-n4c5ccc(C)cc5c5cccnc54)cc(C(C)(C)C)c3)cc(-c3ccccc3)c2)=N1.[Pt+2]
InChIInChI=1S/C44H45N3O2.Pt/c1-7-13-31(14-8-2)40-28-48-43(46-40)33-22-32(30-15-10-9-11-16-30)23-36(24-33)49-37-26-34(44(4,5)6)25-35(27-37)47-41-19-18-29(3)21-39(41)38-17-12-20-45-42(38)47;/h9-12,15-23,25-26,31,40H,7-8,13-14,28H2,1-6H3;/q-2;+2/t40-;/m0./s1
InChIKeyWYTMHACJLQXLPS-LMDYQTDMSA-N
XLogP11.20
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.94
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) with MolForge

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Related Compounds

(3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)
CID 170933025
(3aS,9aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-6,7-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170935564
(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 170933904
(4R)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-4-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933176
(4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932360
(3aR,6aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 170935023
(4R,5S)-2-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-5-phenylbenzene-2-id-1-yl]-5-phenyl-4-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932316
(3aS,7aS)-2-[3-tert-butyl-5-[3,6-dimethyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3a,7a-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;platinum(2+)
CID 170934543
(3aS,9aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-6,7-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzoxazole
CID 170935565
CID 170934303
CID 170934303
9-[3-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170933264
CID 164704143
CID 164704143

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170934841) is (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) is CCCC(CCC)[C@@H]1COC(c2[c-]c(Oc3[c-]c(-n4c5ccc(C)cc5c5cccnc54)cc(C(C)(C)C)c3)cc(-c3ccccc3)c2)=N1.[Pt+2].
What is the InChIKey of (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The InChIKey is WYTMHACJLQXLPS-LMDYQTDMSA-N. The full InChI is InChI=1S/C44H45N3O2.Pt/c1-7-13-31(14-8-2)40-28-48-43(46-40)33-22-32(30-15-10-9-11-16-30)23-36(24-33)49-37-26-34(44(4,5)6)25-35(27-37)47-41-19-18-29(3)21-39(41)38-17-12-20-45-42(38)47;/h9-12,15-23,25-26,31,40H,7-8,13-14,28H2,1-6H3;/q-2;+2/t40-;/m0./s1.
What are the key properties of (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)?
(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 842.94 g/mol, XLogP of 11.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170934841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).