9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C44H44N4OPt — CID 153414635

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414635) has the molecular formula C44H44N4OPt and a molecular weight of 839.94 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414635
• Molecular Formula: C44H44N4OPt
• Molecular Weight: 839.94 g/mol
• Exact Mass: 839.32
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1c(C)c(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)C)c3)c2)c(C)c1C.[Pt+2]
• InChI: InChI=1S/C44H44N4O.Pt/c1-26(2)32-19-35(47-25-33(24-46-47)43-30(6)28(4)27(3)29(5)31(43)7)22-37(20-32)49-36-15-16-39-38-13-11-12-14-40(38)48(41(39)23-36)42-21-34(17-18-45-42)44(8,9)10;/h11-21,24-26H,1-10H3;/q-2;+2
• InChIKey: NKRZNDVJDCONNY-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.94
LogP ≤ 5	11.38
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-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153414635) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1c(C)c(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)cc(C(C)C)c3)c2)c(C)c1C.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NKRZNDVJDCONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O.Pt/c1-26(2)32-19-35(47-25-33(24-46-47)43-30(6)28(4)27(3)29(5)31(43)7)22-37(20-32)49-36-15-16-39-38-13-11-12-14-40(38)48(41(39)23-36)42-21-34(17-18-45-42)44(8,9)10;/h11-21,24-26H,1-10H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 839.94 g/mol, XLogP of 11.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentamethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).