(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+)

C47H41N3PtS — CID 170934628

About (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+)

(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+) (PubChem CID 170934628) has the molecular formula C47H41N3PtS and a molecular weight of 875.01 g/mol. Its IUPAC name is (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+).

Molecular Properties

• Compound Name: (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+)
• PubChem CID: 170934628
• Molecular Formula: C47H41N3PtS
• Molecular Weight: 875.01 g/mol
• Exact Mass: 874.27
• IUPAC Name: (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+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3=N[C@@H]4Cc5c(cccc5C(C)(C)C)[C@@H]4S3)cc(-c3ccccc3)c2)c1.[Pt+2]
• InChI: InChI=1S/C47H41N3S.Pt/c1-46(2,3)33-21-22-48-40(27-33)30-19-20-36-35-15-10-11-18-42(35)50(43(36)26-30)34-24-31(29-13-8-7-9-14-29)23-32(25-34)45-49-41-28-38-37(44(41)51-45)16-12-17-39(38)47(4,5)6;/h7-24,27,41,44H,28H2,1-6H3;/q-2;+2/t41-,44+;/m1./s1
• InChIKey: JCLNULWDRLXXRQ-YJODKUMFSA-N
• XLogP: 11.86
• TPSA: 30.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.01
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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+)?

The IUPAC name of (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) is (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+).

What is the SMILES notation for (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+)?

The canonical SMILES for (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+) is CC(C)(C)c1ccnc(-c2[c-]c3c(cc2)c2ccccc2n3-c2[c-]c(C3=N[C@@H]4Cc5c(cccc5C(C)(C)C)[C@@H]4S3)cc(-c3ccccc3)c2)c1.[Pt+2].

What is the InChIKey of (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+)?

The InChIKey is JCLNULWDRLXXRQ-YJODKUMFSA-N. The full InChI is InChI=1S/C47H41N3S.Pt/c1-46(2,3)33-21-22-48-40(27-33)30-19-20-36-35-15-10-11-18-42(35)50(43(36)26-30)34-24-31(29-13-8-7-9-14-29)23-32(25-34)45-49-41-28-38-37(44(41)51-45)16-12-17-39(38)47(4,5)6;/h7-24,27,41,44H,28H2,1-6H3;/q-2;+2/t41-,44+;/m1./s1.

What are the key properties of (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+)?

(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+) has a molecular weight of 875.01 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (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+) is sourced from PubChem (CID 170934628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).