(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)

C43H49N3O2Pt — CID 170933676

IUPAC(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
SMILESCC(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCC3)CO2)c1.[Pt+2]
InChIInChI=1S/C43H49N3O2.Pt/c1-27(2)28-20-29(40-45-43(9,26-47-40)30-12-10-11-13-30)22-34(21-28)48-33-15-16-35-36-23-31(41(3,4)5)14-17-37(36)46(38(35)25-33)39-24-32(18-19-44-39)42(6,7)8;/h14-21,23-24,27,30H,10-13,26H2,1-9H3;/q-2;+2/t43-;/m0./s1
InChIKeyGHHGPDWGURGCEQ-SXWPEPABSA-N
MW834.96 g/mol
LogP11.01
Rot. Bonds6

About (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)

(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) (PubChem CID 170933676) has the molecular formula C43H49N3O2Pt and a molecular weight of 834.96 g/mol. Its IUPAC name is (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
PubChem CID170933676
Molecular FormulaC43H49N3O2Pt
Molecular Weight834.96 g/mol
Exact Mass834.35
IUPAC Name(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)
SMILESCC(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCC3)CO2)c1.[Pt+2]
InChIInChI=1S/C43H49N3O2.Pt/c1-27(2)28-20-29(40-45-43(9,26-47-40)30-12-10-11-13-30)22-34(21-28)48-33-15-16-35-36-23-31(41(3,4)5)14-17-37(36)46(38(35)25-33)39-24-32(18-19-44-39)42(6,7)8;/h14-21,23-24,27,30H,10-13,26H2,1-9H3;/q-2;+2/t43-;/m0./s1
InChIKeyGHHGPDWGURGCEQ-SXWPEPABSA-N
XLogP11.01
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.96
LogP ≤ 511.01
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-[[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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) (CID 170933676) is (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) is CC(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@](C)(C3CCCC3)CO2)c1.[Pt+2].
What is the InChIKey of (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?
The InChIKey is GHHGPDWGURGCEQ-SXWPEPABSA-N. The full InChI is InChI=1S/C43H49N3O2.Pt/c1-27(2)28-20-29(40-45-43(9,26-47-40)30-12-10-11-13-30)22-34(21-28)48-33-15-16-35-36-23-31(41(3,4)5)14-17-37(36)46(38(35)25-33)39-24-32(18-19-44-39)42(6,7)8;/h14-21,23-24,27,30H,10-13,26H2,1-9H3;/q-2;+2/t43-;/m0./s1.
What are the key properties of (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+)?
(4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) has a molecular weight of 834.96 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-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-cyclopentyl-4-methyl-5H-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).