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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole

C161H95N13Pt4S4 — CID 159220080

IUPAC2-[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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[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.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccn3)ccc21
InChIInChI=1S/3C42H25N3S.C35H20N4S.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;1-2-13-34-31(12-1)38-35(40-34)25-14-16-27-28-21-24(30-11-4-6-19-37-30)15-17-32(28)39(33(27)22-25)26-9-7-8-23(20-26)29-10-3-5-18-36-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-19,21H;;;;/q4*-2;4*+2
InChIKeyQXAKWAFMIULMTN-UHFFFAOYSA-N
MW3120.20 g/mol
LogP41.95
Rot. Bonds19

About 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 159220080) has the molecular formula C161H95N13Pt4S4 and a molecular weight of 3120.20 g/mol. Its IUPAC name is 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
PubChem CID159220080
Molecular FormulaC161H95N13Pt4S4
Molecular Weight3120.20 g/mol
Exact Mass3117.53
IUPAC Name2-[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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[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.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccn3)ccc21
InChIInChI=1S/3C42H25N3S.C35H20N4S.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;1-2-13-34-31(12-1)38-35(40-34)25-14-16-27-28-21-24(30-11-4-6-19-37-30)15-17-32(28)39(33(27)22-25)26-9-7-8-23(20-26)29-10-3-5-18-36-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-19,21H;;;;/q4*-2;4*+2
InChIKeyQXAKWAFMIULMTN-UHFFFAOYSA-N
XLogP41.95
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003120.20
LogP ≤ 541.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The IUPAC name of 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 159220080) is 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The canonical SMILES for 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccc(-c3ccccc3)cn2)ccc(-c2ccccc2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.[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.[c-]1c(-c2ccccn2)cccc1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2cc(-c3ccccn3)ccc21.
What is the InChIKey of 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The InChIKey is QXAKWAFMIULMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H25N3S.C35H20N4S.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;1-2-13-34-31(12-1)38-35(40-34)25-14-16-27-28-21-24(30-11-4-6-19-37-30)15-17-32(28)39(33(27)22-25)26-9-7-8-23(20-26)29-10-3-5-18-36-29;;;;/h1-24,27H;1-23,25,27H;1-23,25-26H;1-19,21H;;;;/q4*-2;4*+2.
What are the key properties of 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 3120.20 g/mol, XLogP of 41.95, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 159220080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).