(3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)

C41H37N3O2Pt — CID 170933025

About (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)

(3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+) (PubChem CID 170933025) has the molecular formula C41H37N3O2Pt and a molecular weight of 798.84 g/mol. Its IUPAC name is (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+).

Molecular Properties

• Compound Name: (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)
• PubChem CID: 170933025
• Molecular Formula: C41H37N3O2Pt
• Molecular Weight: 798.84 g/mol
• Exact Mass: 798.25
• IUPAC Name: (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)
• SMILES: Cc1ccc2c(c1)c1cccnc1n2-c1[c-]c(Oc2[c-]c(C3=N[C@@H]4CCCC[C@@H]4O3)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.[Pt+2]
• InChI: InChI=1S/C41H37N3O2.Pt/c1-26-16-17-37-35(19-26)34-13-10-18-42-39(34)44(37)31-23-30(41(2,3)4)24-33(25-31)45-32-21-28(27-11-6-5-7-12-27)20-29(22-32)40-43-36-14-8-9-15-38(36)46-40;/h5-7,10-13,16-21,23-24,36,38H,8-9,14-15H2,1-4H3;/q-2;+2/t36-,38+;/m1./s1
• InChIKey: IQBTYOGZSWVCIC-ISJXFDSMSA-N
• XLogP: 9.93
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.84
LogP ≤ 5	9.93
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,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)?

The IUPAC name of (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+) (CID 170933025) is (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+).

What is the SMILES notation for (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)?

The canonical SMILES for (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+) is Cc1ccc2c(c1)c1cccnc1n2-c1[c-]c(Oc2[c-]c(C3=N[C@@H]4CCCC[C@@H]4O3)cc(-c3ccccc3)c2)cc(C(C)(C)C)c1.[Pt+2].

What is the InChIKey of (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)?

The InChIKey is IQBTYOGZSWVCIC-ISJXFDSMSA-N. The full InChI is InChI=1S/C41H37N3O2.Pt/c1-26-16-17-37-35(19-26)34-13-10-18-42-39(34)44(37)31-23-30(41(2,3)4)24-33(25-31)45-32-21-28(27-11-6-5-7-12-27)20-29(22-32)40-43-36-14-8-9-15-38(36)46-40;/h5-7,10-13,16-21,23-24,36,38H,8-9,14-15H2,1-4H3;/q-2;+2/t36-,38+;/m1./s1.

What are the key properties of (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)?

(3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+) has a molecular weight of 798.84 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 170933025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).