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

C50H44N4OPt — CID 171769390

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

9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+) (PubChem CID 171769390) has the molecular formula C50H44N4OPt and a molecular weight of 914.02 g/mol. Its IUPAC name is 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+)
• PubChem CID: 171769390
• Molecular Formula: C50H44N4OPt
• Molecular Weight: 914.02 g/mol
• Exact Mass: 913.33
• IUPAC Name: 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+)
• SMILES: [2H]C(C)(C)c1cccc2c3cccc(C([2H])(C)C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-c7cc(C(C)(C)C)ccn7)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2]
• InChI: InChI=1S/C50H44N4O.Pt/c1-31(2)38-16-11-18-42-43-19-12-17-39(32(3)4)49(43)53(48(38)42)35-24-26-52-47(29-35)54-45-20-9-8-15-40(45)41-22-21-37(30-46(41)54)55-36-14-10-13-33(27-36)44-28-34(23-25-51-44)50(5,6)7;/h8-26,28-29,31-32H,1-7H3;/q-2;+2/i31D,32D
• InChIKey: RZEUYVAJWZPJSN-QOSNDWDCSA-N
• XLogP: 13.27
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.02
LogP ≤ 5	13.27
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 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+) (CID 171769390) is 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+).

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

The canonical SMILES for 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+) is [2H]C(C)(C)c1cccc2c3cccc(C([2H])(C)C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-c7cc(C(C)(C)C)ccn7)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2].

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

The InChIKey is RZEUYVAJWZPJSN-QOSNDWDCSA-N. The full InChI is InChI=1S/C50H44N4O.Pt/c1-31(2)38-16-11-18-42-43-19-12-17-39(32(3)4)49(43)53(48(38)42)35-24-26-52-47(29-35)54-45-20-9-8-15-40(45)41-22-21-37(30-46(41)54)55-36-14-10-13-33(27-36)44-28-34(23-25-51-44)50(5,6)7;/h8-26,28-29,31-32H,1-7H3;/q-2;+2/i31D,32D;.

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

9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+) has a molecular weight of 914.02 g/mol, XLogP of 13.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+) is sourced from PubChem (CID 171769390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).