(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)

C39H33N3PtS — CID 170934319

IUPAC(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)
SMILESCc1cc(C2=N[C@]3(C)C(C)(C)c4ccccc4[C@]3(C)S2)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C39H33N3S.Pt/c1-24-17-18-40-33(21-24)26-15-16-30-29-11-7-10-14-34(29)42(35(30)23-26)28-20-25(2)19-27(22-28)36-41-39(6)37(3,4)31-12-8-9-13-32(31)38(39,5)43-36;/h7-21H,1-6H3;/q-2;+2/t38-,39+;/m0./s1
InChIKeyUTOZDFRQYGTHAA-MAVUKPMZSA-N
MW770.86 g/mol
LogP9.52
Rot. Bonds3

About (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)

(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) (PubChem CID 170934319) has the molecular formula C39H33N3PtS and a molecular weight of 770.86 g/mol. Its IUPAC name is (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+).

Molecular Properties

Compound Name(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)
PubChem CID170934319
Molecular FormulaC39H33N3PtS
Molecular Weight770.86 g/mol
Exact Mass770.20
IUPAC Name(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)
SMILESCc1cc(C2=N[C@]3(C)C(C)(C)c4ccccc4[C@]3(C)S2)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C39H33N3S.Pt/c1-24-17-18-40-33(21-24)26-15-16-30-29-11-7-10-14-34(29)42(35(30)23-26)28-20-25(2)19-27(22-28)36-41-39(6)37(3,4)31-12-8-9-13-32(31)38(39,5)43-36;/h7-21H,1-6H3;/q-2;+2/t38-,39+;/m0./s1
InChIKeyUTOZDFRQYGTHAA-MAVUKPMZSA-N
XLogP9.52
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.86
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) with MolForge

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Related Compounds

9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 170934355
(4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932821
(4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170935480
(3aR,8bS)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl]-5-methylphenyl]-3a,4,4,8b-tetramethylindeno[2,1-d][1,3]thiazole
CID 170933467
2-(1-methylbenzimidazol-2-yl)-9-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285522
CID 164701917
CID 164701917
CID 164701894
CID 164701894
(3aR,8bS)-5-tert-butyl-2-[3-[2-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,8b-dihydro-3aH-indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934628
9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421284
9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfonylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421596
9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)
CID 164714409
5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285407

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)?
The IUPAC name of (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) (CID 170934319) is (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+).
What is the SMILES notation for (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)?
The canonical SMILES for (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) is Cc1cc(C2=N[C@]3(C)C(C)(C)c4ccccc4[C@]3(C)S2)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)?
The InChIKey is UTOZDFRQYGTHAA-MAVUKPMZSA-N. The full InChI is InChI=1S/C39H33N3S.Pt/c1-24-17-18-40-33(21-24)26-15-16-30-29-11-7-10-14-34(29)42(35(30)23-26)28-20-25(2)19-27(22-28)36-41-39(6)37(3,4)31-12-8-9-13-32(31)38(39,5)43-36;/h7-21H,1-6H3;/q-2;+2/t38-,39+;/m0./s1.
What are the key properties of (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)?
(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) has a molecular weight of 770.86 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+) is sourced from PubChem (CID 170934319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).