2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)

C37H21N5OPtS — CID 153285653

About 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) (PubChem CID 153285653) has the molecular formula C37H21N5OPtS and a molecular weight of 778.75 g/mol. Its IUPAC name is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)
• PubChem CID: 153285653
• Molecular Formula: C37H21N5OPtS
• Molecular Weight: 778.75 g/mol
• Exact Mass: 778.11
• IUPAC Name: 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(C2=NC=CC2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21
• InChI: InChI=1S/C37H21N5OS.Pt/c1-3-9-32-26(6-1)27-14-12-24(37-41-31-7-2-4-10-35(31)44-37)21-33(27)42(32)34-20-23(11-15-28(34)30-8-5-17-38-30)29-16-13-25(22-40-29)36-39-18-19-43-36;/h1-7,9-19,22H,8H2;/q-2;+2
• InChIKey: HTIPROCORFMLQW-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 69.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.75
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?

The IUPAC name of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) (CID 153285653) is 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+).

What is the SMILES notation for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?

The canonical SMILES for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) is [Pt+2].[c-]1c(-c2ccc(-c3ncco3)cn2)ccc(C2=NC=CC2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.

What is the InChIKey of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?

The InChIKey is HTIPROCORFMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5OS.Pt/c1-3-9-32-26(6-1)27-14-12-24(37-41-31-7-2-4-10-35(31)44-37)21-33(27)42(32)34-20-23(11-15-28(34)30-8-5-17-38-30)29-16-13-25(22-40-29)36-39-18-19-43-36;/h1-7,9-19,22H,8H2;/q-2;+2.

What are the key properties of 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+)?

2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) has a molecular weight of 778.75 g/mol, XLogP of 9.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-[2-(1,3-benzothiazol-2-yl)-1H-carbazol-1-id-9-yl]-4-(3H-pyrrol-2-yl)benzene-2-id-1-yl]-3-pyridinyl]-1,3-oxazole;platinum(2+) is sourced from PubChem (CID 153285653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).