6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

C52H49N5OPt — CID 155633558

About 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)

6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (PubChem CID 155633558) has the molecular formula C52H49N5OPt and a molecular weight of 955.08 g/mol. Its IUPAC name is 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
• PubChem CID: 155633558
• Molecular Formula: C52H49N5OPt
• Molecular Weight: 955.08 g/mol
• Exact Mass: 954.36
• IUPAC Name: 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(C3(c4[c-]c(Oc5cc(C(C)(C)C)ccn5)c5nc(C)c(C)n5c4)c4ccccc4-c4ccccc43)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C52H49N5O.Pt/c1-32-34(3)56-31-40(29-46(49(56)54-32)58-47-30-37(24-25-53-47)50(5,6)7)52(44-22-16-14-20-42(44)43-21-15-17-23-45(43)52)39-26-38(51(8,9)10)27-41(28-39)57-35(4)48(33(2)55-57)36-18-12-11-13-19-36;/h11-27,30-31H,1-10H3;/q-2;+2
• InChIKey: OUNRMOPDHSEQRB-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.08
LogP ≤ 5	12.16
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 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?

The IUPAC name of 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) (CID 155633558) is 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+).

What is the SMILES notation for 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?

The canonical SMILES for 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is Cc1nn(-c2[c-]c(C3(c4[c-]c(Oc5cc(C(C)(C)C)ccn5)c5nc(C)c(C)n5c4)c4ccccc4-c4ccccc43)cc(C(C)(C)C)c2)c(C)c1-c1ccccc1.[Pt+2].

What is the InChIKey of 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?

The InChIKey is OUNRMOPDHSEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H49N5O.Pt/c1-32-34(3)56-31-40(29-46(49(56)54-32)58-47-30-37(24-25-53-47)50(5,6)7)52(44-22-16-14-20-42(44)43-21-15-17-23-45(43)52)39-26-38(51(8,9)10)27-41(28-39)57-35(4)48(33(2)55-57)36-18-12-11-13-19-36;/h11-27,30-31H,1-10H3;/q-2;+2.

What are the key properties of 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+)?

6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) has a molecular weight of 955.08 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[9-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-6-id-1-yl]fluoren-9-yl]-8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-7H-imidazo[1,2-a]pyridin-7-ide;platinum(2+) is sourced from PubChem (CID 155633558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).