(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)

C58H63N3OPtS — CID 170934845

About (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)

(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+) (PubChem CID 170934845) has the molecular formula C58H63N3OPtS and a molecular weight of 1045.31 g/mol. Its IUPAC name is (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+).

Molecular Properties

• Compound Name: (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)
• PubChem CID: 170934845
• Molecular Formula: C58H63N3OPtS
• Molecular Weight: 1045.31 g/mol
• Exact Mass: 1044.43
• IUPAC Name: (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)
• SMILES: Cc1ccc2c(c1C)C[C@@]1(C)N=C(c3[c-]c(Oc4[c-]c(-n5c6ccc(C(C)(C)C)cc6c6cccnc65)cc(C(C)(C)C)c4)cc(-c4c(C(C)C)cccc4C(C)(C)C)c3)S[C@@]21C.[Pt+2]
• InChI: InChI=1S/C58H63N3OS.Pt/c1-34(2)44-18-16-20-49(56(11,12)13)51(44)37-26-38(53-60-57(14)33-47-36(4)35(3)21-23-48(47)58(57,15)63-53)28-42(27-37)62-43-30-40(55(8,9)10)29-41(32-43)61-50-24-22-39(54(5,6)7)31-46(50)45-19-17-25-59-52(45)61;/h16-27,29-31,34H,33H2,1-15H3;/q-2;+2/t57-,58+;/m1./s1
• InChIKey: AKLVJLGXQQAHDR-LWLGVNJWSA-N
• XLogP: 15.59
• TPSA: 39.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.31
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)?

The IUPAC name of (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+) (CID 170934845) is (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+).

What is the SMILES notation for (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)?

The canonical SMILES for (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+) is Cc1ccc2c(c1C)C[C@@]1(C)N=C(c3[c-]c(Oc4[c-]c(-n5c6ccc(C(C)(C)C)cc6c6cccnc65)cc(C(C)(C)C)c4)cc(-c4c(C(C)C)cccc4C(C)(C)C)c3)S[C@@]21C.[Pt+2].

What is the InChIKey of (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)?

The InChIKey is AKLVJLGXQQAHDR-LWLGVNJWSA-N. The full InChI is InChI=1S/C58H63N3OS.Pt/c1-34(2)44-18-16-20-49(56(11,12)13)51(44)37-26-38(53-60-57(14)33-47-36(4)35(3)21-23-48(47)58(57,15)63-53)28-42(27-37)62-43-30-40(55(8,9)10)29-41(32-43)61-50-24-22-39(54(5,6)7)31-46(50)45-19-17-25-59-52(45)61;/h16-27,29-31,34H,33H2,1-15H3;/q-2;+2/t57-,58+;/m1./s1.

What are the key properties of (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)?

(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+) has a molecular weight of 1045.31 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+) is sourced from PubChem (CID 170934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).