2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))
C168H100N12Pt4S4 — CID 158826383
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccccc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccccc5)ccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccccc5)cc4s3)ccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/4C42H25N3S.4Pt/c1-3-11-28(12-4-1)32-21-24-36(43-27-32)30-19-22-33(29-13-5-2-6-14-29)39(25-30)45-38-17-9-7-15-34(38)35-23-20-31(26-40(35)45)42-44-37-16-8-10-18-41(37)46-42;1-3-10-28(11-4-1)30-19-22-39-36(25-30)35-20-17-33(42-44-38-21-18-31(27-41(38)46-42)29-12-5-2-6-13-29)26-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-18-21-39-36(25-30)35-20-17-33(42-44-38-26-31(19-22-41(38)46-42)29-12-5-2-6-13-29)27-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-20-23-39-36(25-30)35-21-18-32(42-44-38-16-7-8-17-41(38)46-42)26-40(35)45(39)34-15-9-14-31(24-34)37-22-19-33(27-43-37)29-12-5-2-6-13-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-23,25,27H;;;;/q4*-2;4*+2
InChIKeyVHEVCKUFBSAPHT-UHFFFAOYSA-N
MW3195.31 g/mol
LogP44.22
Rot. Bonds20
About 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))
2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) (PubChem CID 158826383) has the molecular formula C168H100N12Pt4S4 and a molecular weight of 3195.31 g/mol. Its IUPAC name is 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)).
Molecular Properties
| Compound Name | 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 158826383 |
| Molecular Formula | C168H100N12Pt4S4 |
| Molecular Weight | 3195.31 g/mol |
| Exact Mass | 3192.57 |
| IUPAC Name | 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) |
| SMILES | [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccccc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccccc5)ccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccccc5)cc4s3)ccc2c2cc(-c3ccccc3)ccc21 |
| InChI | InChI=1S/4C42H25N3S.4Pt/c1-3-11-28(12-4-1)32-21-24-36(43-27-32)30-19-22-33(29-13-5-2-6-14-29)39(25-30)45-38-17-9-7-15-34(38)35-23-20-31(26-40(35)45)42-44-37-16-8-10-18-41(37)46-42;1-3-10-28(11-4-1)30-19-22-39-36(25-30)35-20-17-33(42-44-38-21-18-31(27-41(38)46-42)29-12-5-2-6-13-29)26-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-18-21-39-36(25-30)35-20-17-33(42-44-38-26-31(19-22-41(38)46-42)29-12-5-2-6-13-29)27-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-20-23-39-36(25-30)35-21-18-32(42-44-38-16-7-8-17-41(38)46-42)26-40(35)45(39)34-15-9-14-31(24-34)37-22-19-33(27-43-37)29-12-5-2-6-13-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-23,25,27H;;;;/q4*-2;4*+2 |
| InChIKey | VHEVCKUFBSAPHT-UHFFFAOYSA-N |
| XLogP | 44.22 |
| TPSA | 122.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3195.31 |
| LogP ≤ 5 | 44.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))?
The IUPAC name of 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) (CID 158826383) is 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))?
The canonical SMILES for 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[c-]1c(-c2ccc(-c3ccccc3)cn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4cc(-c5ccccc5)ccc4s3)ccc2c2cc(-c3ccccc3)ccc21.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccc(-c5ccccc5)cc4s3)ccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))?
The InChIKey is VHEVCKUFBSAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H25N3S.4Pt/c1-3-11-28(12-4-1)32-21-24-36(43-27-32)30-19-22-33(29-13-5-2-6-14-29)39(25-30)45-38-17-9-7-15-34(38)35-23-20-31(26-40(35)45)42-44-37-16-8-10-18-41(37)46-42;1-3-10-28(11-4-1)30-19-22-39-36(25-30)35-20-17-33(42-44-38-21-18-31(27-41(38)46-42)29-12-5-2-6-13-29)26-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-18-21-39-36(25-30)35-20-17-33(42-44-38-26-31(19-22-41(38)46-42)29-12-5-2-6-13-29)27-40(35)45(39)34-15-9-14-32(24-34)37-16-7-8-23-43-37;1-3-10-28(11-4-1)30-20-23-39-36(25-30)35-21-18-32(42-44-38-16-7-8-17-41(38)46-42)26-40(35)45(39)34-15-9-14-31(24-34)37-22-19-33(27-43-37)29-12-5-2-6-13-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-23,25,27H;;;;/q4*-2;4*+2.
What are the key properties of 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+))?
2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) has a molecular weight of 3195.31 g/mol, XLogP of 44.22, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenyl-9-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[9-[2-phenyl-5-(5-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;5-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;6-phenyl-2-[6-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;tetrakis(platinum(2+)) is sourced from PubChem (CID 158826383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158826383 — identifiers, structure, computed properties (public domain)
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