(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

C51H51N3O2Pt — CID 170933383

IUPAC(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCc1cc(Oc2[c-]c(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc(C(C)(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3c(C)ccnc32)c1.[Pt+2]
InChIInChI=1S/C51H51N3O2.Pt/c1-32-25-39(54-43-22-21-37(49(3,4)5)30-42(43)51(9,10)44-33(2)23-24-52-47(44)54)31-40(26-32)55-41-28-36(27-38(29-41)50(6,7)8)48-53-45(34-17-13-11-14-18-34)46(56-48)35-19-15-12-16-20-35;/h11-27,29-30,45-46H,1-10H3;/q-2;+2/t45-,46-;/m1./s1
InChIKeyGRCVYIBLPSHCBW-LGLXAAFESA-N
MW933.07 g/mol
LogP13.05
Rot. Bonds6

About (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170933383) has the molecular formula C51H51N3O2Pt and a molecular weight of 933.07 g/mol. Its IUPAC name is (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
PubChem CID170933383
Molecular FormulaC51H51N3O2Pt
Molecular Weight933.07 g/mol
Exact Mass932.36
IUPAC Name(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCc1cc(Oc2[c-]c(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc(C(C)(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3c(C)ccnc32)c1.[Pt+2]
InChIInChI=1S/C51H51N3O2.Pt/c1-32-25-39(54-43-22-21-37(49(3,4)5)30-42(43)51(9,10)44-33(2)23-24-52-47(44)54)31-40(26-32)55-41-28-36(27-38(29-41)50(6,7)8)48-53-45(34-17-13-11-14-18-34)46(56-48)35-19-15-12-16-20-35;/h11-27,29-30,45-46H,1-10H3;/q-2;+2/t45-,46-;/m1./s1
InChIKeyGRCVYIBLPSHCBW-LGLXAAFESA-N
XLogP13.05
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.07
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170935038
CID 170935038
(3aR,11bS)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6,9-dimethyl-3a,11b-dihydrophenanthro[9,10-d][1,3]oxazole;platinum(2+)
CID 170933330
(3aR,8bS)-8b-tert-butyl-2-[3-tert-butyl-5-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3a,6,7-trimethyl-4H-indeno[2,1-d][1,3]oxazole;platinum(2+)
CID 170934919
(4R,5R)-2-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932874
(3aS,11bR)-6,9-ditert-butyl-2-[3-tert-butyl-5-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3-[2,6-di(propan-2-yl)phenyl]-3a,11b-dimethylphenanthro[9,10-d]imidazole;platinum(2+)
CID 170934079
(3aS,8bR)-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]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170933758
(3aR,6aS)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-[2,6-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-3a,6a-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933897
10-[3-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridine;platinum(2+)
CID 170933579
(3aS,8bR)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-propan-2-ylbenzene-2-id-1-yl]-4,4-dideuterio-3a,5,6,8b-tetramethylindeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170935562
(4R)-4-tert-butyl-2-[3-tert-butyl-5-[[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethyl-4H-acridin-4-id-3-yl]oxy]benzene-6-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170935450
(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
CID 170935591
CID 170935591

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170933383) is (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is Cc1cc(Oc2[c-]c(C3=N[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc(C(C)(C)C)c2)[c-]c(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3c(C)ccnc32)c1.[Pt+2].
What is the InChIKey of (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The InChIKey is GRCVYIBLPSHCBW-LGLXAAFESA-N. The full InChI is InChI=1S/C51H51N3O2.Pt/c1-32-25-39(54-43-22-21-37(49(3,4)5)30-42(43)51(9,10)44-33(2)23-24-52-47(44)54)31-40(26-32)55-41-28-36(27-38(29-41)50(6,7)8)48-53-45(34-17-13-11-14-18-34)46(56-48)35-19-15-12-16-20-35;/h11-27,29-30,45-46H,1-10H3;/q-2;+2/t45-,46-;/m1./s1.
What are the key properties of (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
(4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 933.07 g/mol, XLogP of 13.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[3-tert-butyl-5-[3-(7-tert-butyl-4,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170933383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).