2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)

C37H22N6O2Pt — CID 153285362

IUPAC2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)
SMILESCn1c(-c2[c-]c3c(cc2)c2cc(-c4ncco4)ccc2n3-c2[c-]c(-c3ccc(-c4ncco4)cn3)ccc2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C37H22N6O2.Pt/c1-42-33-8-3-2-7-31(33)41-35(42)24-9-12-28-29-20-25(36-38-15-17-44-36)11-14-32(29)43(34(28)21-24)27-6-4-5-23(19-27)30-13-10-26(22-40-30)37-39-16-18-45-37;/h2-18,20,22H,1H3;/q-2;+2
InChIKeyAYUAFPZSZXBVLP-UHFFFAOYSA-N
MW777.70 g/mol
LogP8.31
Rot. Bonds5

About 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)

2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) (PubChem CID 153285362) has the molecular formula C37H22N6O2Pt and a molecular weight of 777.70 g/mol. Its IUPAC name is 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+).

Molecular Properties

Compound Name2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)
PubChem CID153285362
Molecular FormulaC37H22N6O2Pt
Molecular Weight777.70 g/mol
Exact Mass777.15
IUPAC Name2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)
SMILESCn1c(-c2[c-]c3c(cc2)c2cc(-c4ncco4)ccc2n3-c2[c-]c(-c3ccc(-c4ncco4)cn3)ccc2)nc2ccccc21.[Pt+2]
InChIInChI=1S/C37H22N6O2.Pt/c1-42-33-8-3-2-7-31(33)41-35(42)24-9-12-28-29-20-25(36-38-15-17-44-36)11-14-32(29)43(34(28)21-24)27-6-4-5-23(19-27)30-13-10-26(22-40-30)37-39-16-18-45-37;/h2-18,20,22H,1H3;/q-2;+2
InChIKeyAYUAFPZSZXBVLP-UHFFFAOYSA-N
XLogP8.31
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.70
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) with MolForge

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Related Compounds

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US10214519, Example 219
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US10214519, Example 223
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US10214519, Example 229
CID 134371923
US10899769, Example 66
CID 139558327
4-[3-[[3-(Fluoromethyl)-2-methylphenyl]methyl]-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
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5-[2-(3-Fluoro-3-methylbutyl)-1,3-oxazol-5-yl]-6-[2-methyl-5-[3,3,3-trifluoro-2-methyl-2-[[5-[2-(1-methylbenzimidazol-5-yl)pyridin-3-yl]-1,3-oxazol-2-yl]methyl]propyl]imidazo[1,2-a]pyridin-7-yl]pyridine-2-carbonitrile
CID 137389406

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?
The IUPAC name of 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) (CID 153285362) is 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+).
What is the SMILES notation for 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?
The canonical SMILES for 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) is Cn1c(-c2[c-]c3c(cc2)c2cc(-c4ncco4)ccc2n3-c2[c-]c(-c3ccc(-c4ncco4)cn3)ccc2)nc2ccccc21.[Pt+2].
What is the InChIKey of 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?
The InChIKey is AYUAFPZSZXBVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O2.Pt/c1-42-33-8-3-2-7-31(33)41-35(42)24-9-12-28-29-20-25(36-38-15-17-44-36)11-14-32(29)43(34(28)21-24)27-6-4-5-23(19-27)30-13-10-26(22-40-30)37-39-16-18-45-37;/h2-18,20,22H,1H3;/q-2;+2.
What are the key properties of 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?
2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) has a molecular weight of 777.70 g/mol, XLogP of 8.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-6-(1,3-oxazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).