(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

C44H37N3OPt — CID 170935886

IUPAC(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCc1cc(C)c(-n2c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3c3ccccc32)[c-]c1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.[Pt+2]
InChIInChI=1S/C44H37N3O.Pt/c1-28-24-29(2)39(27-36(28)43-46-41(30-14-8-6-9-15-30)42(48-43)31-16-10-7-11-17-31)47-38-19-13-12-18-34(38)35-21-20-32(25-40(35)47)37-26-33(22-23-45-37)44(3,4)5;/h6-24,26,41-42H,1-5H3;/q-2;+2/t41-,42-;/m1./s1
InChIKeyACMHAHJQKMWYQU-FSYWDRBWSA-N
MW818.88 g/mol
LogP10.62
Rot. Bonds5

About (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)

(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (PubChem CID 170935886) has the molecular formula C44H37N3OPt and a molecular weight of 818.88 g/mol. Its IUPAC name is (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
PubChem CID170935886
Molecular FormulaC44H37N3OPt
Molecular Weight818.88 g/mol
Exact Mass818.26
IUPAC Name(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)
SMILESCc1cc(C)c(-n2c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3c3ccccc32)[c-]c1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.[Pt+2]
InChIInChI=1S/C44H37N3O.Pt/c1-28-24-29(2)39(27-36(28)43-46-41(30-14-8-6-9-15-30)42(48-43)31-16-10-7-11-17-31)47-38-19-13-12-18-34(38)35-21-20-32(25-40(35)47)37-26-33(22-23-45-37)44(3,4)5;/h6-24,26,41-42H,1-5H3;/q-2;+2/t41-,42-;/m1./s1
InChIKeyACMHAHJQKMWYQU-FSYWDRBWSA-N
XLogP10.62
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.88
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The IUPAC name of (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) (CID 170935886) is (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+).
What is the SMILES notation for (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The canonical SMILES for (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is Cc1cc(C)c(-n2c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3c3ccccc32)[c-]c1C1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.[Pt+2].
What is the InChIKey of (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
The InChIKey is ACMHAHJQKMWYQU-FSYWDRBWSA-N. The full InChI is InChI=1S/C44H37N3O.Pt/c1-28-24-29(2)39(27-36(28)43-46-41(30-14-8-6-9-15-30)42(48-43)31-16-10-7-11-17-31)47-38-19-13-12-18-34(38)35-21-20-32(25-40(35)47)37-26-33(22-23-45-37)44(3,4)5;/h6-24,26,41-42H,1-5H3;/q-2;+2/t41-,42-;/m1./s1.
What are the key properties of (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+)?
(4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) has a molecular weight of 818.88 g/mol, XLogP of 10.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[5-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-2,4-dimethylbenzene-6-id-1-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 170935886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).