2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)

C49H54N4OPt — CID 153441583

About 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441583) has the molecular formula C49H54N4OPt and a molecular weight of 910.08 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441583
• Molecular Formula: C49H54N4OPt
• Molecular Weight: 910.08 g/mol
• Exact Mass: 909.39
• IUPAC Name: 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCCC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
• InChI: InChI=1S/C49H54N4O.Pt/c1-11-12-14-17-32(2)36-20-23-44-43(26-36)42-22-21-40(31-45(42)52(44)46-29-37(24-25-50-46)48(5,6)7)54-41-28-38(49(8,9)10)27-39(30-41)53-34(4)47(33(3)51-53)35-18-15-13-16-19-35;/h13,15-16,18-29,32H,11-12,14,17H2,1-10H3;/q-2;+2
• InChIKey: ZTTFZQFEBKMKJY-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.08
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153441583) is 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+) is CCCCCC(C)c1ccc2c(c1)c1ccc(Oc3[c-]c(-n4nc(C)c(-c5ccccc5)c4C)cc(C(C)(C)C)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2].

What is the InChIKey of 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZTTFZQFEBKMKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54N4O.Pt/c1-11-12-14-17-32(2)36-20-23-44-43(26-36)42-22-21-40(31-45(42)52(44)46-29-37(24-25-50-46)48(5,6)7)54-41-28-38(49(8,9)10)27-39(30-41)53-34(4)47(33(3)51-53)35-18-15-13-16-19-35;/h13,15-16,18-29,32H,11-12,14,17H2,1-10H3;/q-2;+2.

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

2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 910.08 g/mol, XLogP of 13.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-heptan-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).