(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)

C45H47N3O2Pt — CID 170934015

IUPAC(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)
SMILESCc1cc(C)c(C2=NC(C)(C)[C@](C)(c3ccccc3)O2)[c-]c1Oc1[c-]c2c(cc1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C45H47N3O2.Pt/c1-28-23-29(2)39(27-35(28)41-47-44(9,10)45(11,50-41)30-15-13-12-14-16-30)49-33-18-19-34-36-24-31(42(3,4)5)17-20-37(36)48(38(34)26-33)40-25-32(21-22-46-40)43(6,7)8;/h12-25H,1-11H3;/q-2;+2/t45-;/m0./s1
InChIKeyNYLOWLBQUVEYLJ-XZMLEQSQSA-N
MW856.97 g/mol
LogP11.25
Rot. Bonds5

About (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)

(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) (PubChem CID 170934015) has the molecular formula C45H47N3O2Pt and a molecular weight of 856.97 g/mol. Its IUPAC name is (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)
PubChem CID170934015
Molecular FormulaC45H47N3O2Pt
Molecular Weight856.97 g/mol
Exact Mass856.33
IUPAC Name(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)
SMILESCc1cc(C)c(C2=NC(C)(C)[C@](C)(c3ccccc3)O2)[c-]c1Oc1[c-]c2c(cc1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C45H47N3O2.Pt/c1-28-23-29(2)39(27-35(28)41-47-44(9,10)45(11,50-41)30-15-13-12-14-16-30)49-33-18-19-34-36-24-31(42(3,4)5)17-20-37(36)48(38(34)26-33)40-25-32(21-22-46-40)43(6,7)8;/h12-25H,1-11H3;/q-2;+2/t45-;/m0./s1
InChIKeyNYLOWLBQUVEYLJ-XZMLEQSQSA-N
XLogP11.25
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.97
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) with MolForge

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Related Compounds

(4R)-2-[3-tert-butyl-5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-4,5,5-trimethyl-4-phenyl-1,3-oxazole;platinum(2+)
CID 170933458
(3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)
CID 170935753
(3aS,9aS)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-3a,4,4,5,7-pentamethyl-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170932919
(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)
CID 170932547
(3aS,8bR)-2-[2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-4-yl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole;platinum(2+)
CID 170934486
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-3-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446598
2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;platinum(2+)
CID 170933227
CID 170654850
CID 170654850
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446625
(4R)-4-tert-butyl-2-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-5H-1,3-oxazole;platinum(2+)
CID 170933817
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446547
11-[3-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-2-id-1-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;platinum
CID 169294369

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)?
The IUPAC name of (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) (CID 170934015) is (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+).
What is the SMILES notation for (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)?
The canonical SMILES for (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) is Cc1cc(C)c(C2=NC(C)(C)[C@](C)(c3ccccc3)O2)[c-]c1Oc1[c-]c2c(cc1)c1cc(C(C)(C)C)ccc1n2-c1cc(C(C)(C)C)ccn1.[Pt+2].
What is the InChIKey of (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)?
The InChIKey is NYLOWLBQUVEYLJ-XZMLEQSQSA-N. The full InChI is InChI=1S/C45H47N3O2.Pt/c1-28-23-29(2)39(27-35(28)41-47-44(9,10)45(11,50-41)30-15-13-12-14-16-30)49-33-18-19-34-36-24-31(42(3,4)5)17-20-37(36)48(38(34)26-33)40-25-32(21-22-46-40)43(6,7)8;/h12-25H,1-11H3;/q-2;+2/t45-;/m0./s1.
What are the key properties of (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+)?
(5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) has a molecular weight of 856.97 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[5-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-4,4,5-trimethyl-5-phenyl-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).