8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)

C64H49N5PtS — CID 165167985

IUPAC8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)
SMILESCC(C)(C)c1sc2c(-c3cccc(C4(c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-c6[c-]cccc6)n5)c5ccccc5-c5ccccc54)n3)[c-]c3nccnc3c2c1C(C)(C)C.[Pt+2]
InChIInChI=1S/C64H49N5S.Pt/c1-62(2,3)58-57-59-54(65-33-34-66-59)39-47(60(57)70-61(58)63(4,5)6)50-31-20-32-55(68-50)64(48-29-18-16-27-45(48)46-28-17-19-30-49(46)64)56-38-44(37-53(69-56)42-25-14-9-15-26-42)43-35-51(40-21-10-7-11-22-40)67-52(36-43)41-23-12-8-13-24-41;/h7-25,27-38H,1-6H3;/q-2;+2
InChIKeyPIPNXTWQEUMMER-UHFFFAOYSA-N
MW1115.28 g/mol
LogP15.92
Rot. Bonds7

About 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)

8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) (PubChem CID 165167985) has the molecular formula C64H49N5PtS and a molecular weight of 1115.28 g/mol. Its IUPAC name is 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+).

Molecular Properties

Compound Name8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)
PubChem CID165167985
Molecular FormulaC64H49N5PtS
Molecular Weight1115.28 g/mol
Exact Mass1114.34
IUPAC Name8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)
SMILESCC(C)(C)c1sc2c(-c3cccc(C4(c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-c6[c-]cccc6)n5)c5ccccc5-c5ccccc54)n3)[c-]c3nccnc3c2c1C(C)(C)C.[Pt+2]
InChIInChI=1S/C64H49N5S.Pt/c1-62(2,3)58-57-59-54(65-33-34-66-59)39-47(60(57)70-61(58)63(4,5)6)50-31-20-32-55(68-50)64(48-29-18-16-27-45(48)46-28-17-19-30-49(46)64)56-38-44(37-53(69-56)42-25-14-9-15-26-42)43-35-51(40-21-10-7-11-22-40)67-52(36-43)41-23-12-8-13-24-41;/h7-25,27-38H,1-6H3;/q-2;+2
InChIKeyPIPNXTWQEUMMER-UHFFFAOYSA-N
XLogP15.92
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.28
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2,2-dimethylpropyl)phenyl]-2-(2-methyl-5H-benzo[e][1]benzothiol-5-id-4-yl)-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;platinum(2+)
CID 165168072
2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824206
2-(3-tert-butylbenzene-6-id-1-yl)-6-[9-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-(3,4-dimethylbenzene-6-id-1-yl)-6-[9-[6-(3,4-dimethylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;platinum;bis(platinum(2+));2-pyridin-2-yl-6-[9-(6-pyridin-2-yl-2-pyridinyl)fluoren-9-yl]pyridine
CID 158029976
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
iridium;2-(phenyliminomethyl)phenol;2-phenyl-6-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]pyridine
CID 170514343
iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid
CID 170514326
2-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]-6-phenylpyridine;iridium;pyridine-2-carboxylic acid
CID 170514443
4-[9-(4,6-diphenyl-2-pyridinyl)fluoren-9-yl]-N,N-diphenylaniline
CID 121461490
2-[2,7-dimethyl-9-(6-phenyl-2-pyridinyl)xanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824186
4-phenyl-2-[2-(9-phenylfluoren-9-yl)-4-pyridinyl]-6-(3-phenylphenyl)pyridine
CID 142356444
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050

Frequently Asked Questions

What is the IUPAC name of 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)?
The IUPAC name of 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) (CID 165167985) is 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+).
What is the SMILES notation for 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)?
The canonical SMILES for 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) is CC(C)(C)c1sc2c(-c3cccc(C4(c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-c6[c-]cccc6)n5)c5ccccc5-c5ccccc54)n3)[c-]c3nccnc3c2c1C(C)(C)C.[Pt+2].
What is the InChIKey of 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)?
The InChIKey is PIPNXTWQEUMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N5S.Pt/c1-62(2,3)58-57-59-54(65-33-34-66-59)39-47(60(57)70-61(58)63(4,5)6)50-31-20-32-55(68-50)64(48-29-18-16-27-45(48)46-28-17-19-30-49(46)64)56-38-44(37-53(69-56)42-25-14-9-15-26-42)43-35-51(40-21-10-7-11-22-40)67-52(36-43)41-23-12-8-13-24-41;/h7-25,27-38H,1-6H3;/q-2;+2.
What are the key properties of 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+)?
8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) has a molecular weight of 1115.28 g/mol, XLogP of 15.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-ditert-butyl-6-[6-[9-[4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]-5H-thieno[3,2-f]quinoxalin-5-ide;platinum(2+) is sourced from PubChem (CID 165167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).