9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)

C50H48N6OPt — CID 171769530

About 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)

9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+) (PubChem CID 171769530) has the molecular formula C50H48N6OPt and a molecular weight of 944.05 g/mol. Its IUPAC name is 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)
• PubChem CID: 171769530
• Molecular Formula: C50H48N6OPt
• Molecular Weight: 944.05 g/mol
• Exact Mass: 943.35
• IUPAC Name: 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)
• SMILES: CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C)cc(C(C)C)cc5c5cc(C(C)C)cc(C)c54)ccn3)ccc2)nc1C(C)C.[Pt+2]
• InChI: InChI=1S/C50H48N6O.Pt/c1-10-44-48(31(6)7)53-56(52-44)37-14-13-15-38(26-37)57-39-18-19-41-40-16-11-12-17-45(40)55(46(41)28-39)47-27-36(20-21-51-47)54-49-32(8)22-34(29(2)3)24-42(49)43-25-35(30(4)5)23-33(9)50(43)54;/h11-25,27,29-31H,10H2,1-9H3;/q-2;+2
• InChIKey: YCGKXFJYSZDVKF-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.05
LogP ≤ 5	12.80
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-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+) (CID 171769530) is 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+) is CCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C)cc(C(C)C)cc5c5cc(C(C)C)cc(C)c54)ccn3)ccc2)nc1C(C)C.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)?

The InChIKey is YCGKXFJYSZDVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N6O.Pt/c1-10-44-48(31(6)7)53-56(52-44)37-14-13-15-38(26-37)57-39-18-19-41-40-16-11-12-17-45(40)55(46(41)28-39)47-27-36(20-21-51-47)54-49-32(8)22-34(29(2)3)24-42(49)43-25-35(30(4)5)23-33(9)50(43)54;/h11-25,27,29-31H,10H2,1-9H3;/q-2;+2.

What are the key properties of 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)?

9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+) has a molecular weight of 944.05 g/mol, XLogP of 12.80, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+) is sourced from PubChem (CID 171769530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).