9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)

C46H40N6OPt — CID 171769477

About 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)

9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+) (PubChem CID 171769477) has the molecular formula C46H40N6OPt and a molecular weight of 892.98 g/mol. Its IUPAC name is 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)
• PubChem CID: 171769477
• Molecular Formula: C46H40N6OPt
• Molecular Weight: 892.98 g/mol
• Exact Mass: 892.32
• IUPAC Name: 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)
• SMILES: [2H]C([2H])(C)c1cccc2c3cccc(C([2H])([2H])C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7nnc(C)c7C)cc(C([2H])(C)C)c6)ccc5c5ccccc54)c3)c12.[Pt+2]
• InChI: InChI=1S/C46H40N6O.Pt/c1-7-31-13-11-16-40-41-17-12-14-32(8-2)46(41)50(45(31)40)34-21-22-47-44(26-34)51-42-18-10-9-15-38(42)39-20-19-36(27-43(39)51)53-37-24-33(28(3)4)23-35(25-37)52-30(6)29(5)48-49-52;/h9-24,26,28H,7-8H2,1-6H3;/q-2;+2/i7D2,8D2,28D
• InChIKey: BEXXBFOXJAPTCY-ZJSWVSNBSA-N
• XLogP: 11.11
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.98
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+) (CID 171769477) is 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+) is [2H]C([2H])(C)c1cccc2c3cccc(C([2H])([2H])C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7nnc(C)c7C)cc(C([2H])(C)C)c6)ccc5c5ccccc54)c3)c12.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)?

The InChIKey is BEXXBFOXJAPTCY-ZJSWVSNBSA-N. The full InChI is InChI=1S/C46H40N6O.Pt/c1-7-31-13-11-16-40-41-17-12-14-32(8-2)46(41)50(45(31)40)34-21-22-47-44(26-34)51-42-18-10-9-15-38(42)39-20-19-36(27-43(39)51)53-37-24-33(28(3)4)23-35(25-37)52-30(6)29(5)48-49-52;/h9-24,26,28H,7-8H2,1-6H3;/q-2;+2/i7D2,8D2,28D;.

What are the key properties of 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)?

9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+) has a molecular weight of 892.98 g/mol, XLogP of 11.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+) is sourced from PubChem (CID 171769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).