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

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 Name2-[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 CID158826383
Molecular FormulaC168H100N12Pt4S4
Molecular Weight3195.31 g/mol
Exact Mass3192.57
IUPAC Name2-[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
XLogP44.22
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003195.31
LogP ≤ 544.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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+)) with MolForge

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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).