1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)

C58H55N5OPt — CID 171769271

About 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)

1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) (PubChem CID 171769271) has the molecular formula C58H55N5OPt and a molecular weight of 1033.19 g/mol. Its IUPAC name is 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+).

Molecular Properties

• Compound Name: 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
• PubChem CID: 171769271
• Molecular Formula: C58H55N5OPt
• Molecular Weight: 1033.19 g/mol
• Exact Mass: 1032.41
• IUPAC Name: 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
• SMILES: CC(C)c1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C(C)(C)C)cccc5c5cccc(C(C)(C)C)c54)ccn3)ccc2)c(C(C)C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C58H55N5O.Pt/c1-36(2)53-52(38-19-12-11-13-20-38)54(37(3)4)63(60-53)40-21-16-22-41(33-40)64-42-29-30-44-43-23-14-15-28-49(43)62(50(44)35-42)51-34-39(31-32-59-51)61-55-45(24-17-26-47(55)57(5,6)7)46-25-18-27-48(56(46)61)58(8,9)10;/h11-32,34,36-37H,1-10H3;/q-2;+2
• InChIKey: QEEJRVYIPYRKRV-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.19
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)?

The IUPAC name of 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) (CID 171769271) is 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+).

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

The canonical SMILES for 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) is CC(C)c1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5c(C(C)(C)C)cccc5c5cccc(C(C)(C)C)c54)ccn3)ccc2)c(C(C)C)c1-c1ccccc1.[Pt+2].

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

The InChIKey is QEEJRVYIPYRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N5O.Pt/c1-36(2)53-52(38-19-12-11-13-20-38)54(37(3)4)63(60-53)40-21-16-22-41(33-40)64-42-29-30-44-43-23-14-15-28-49(43)62(50(44)35-42)51-34-39(31-32-59-51)61-55-45(24-17-26-47(55)57(5,6)7)46-25-18-27-48(56(46)61)58(8,9)10;/h11-32,34,36-37H,1-10H3;/q-2;+2.

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

1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) has a molecular weight of 1033.19 g/mol, XLogP of 15.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) is sourced from PubChem (CID 171769271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).