5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)

C46H39N3Pt — CID 153428747

About 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)

5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+) (PubChem CID 153428747) has the molecular formula C46H39N3Pt and a molecular weight of 828.92 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)
• PubChem CID: 153428747
• Molecular Formula: C46H39N3Pt
• Molecular Weight: 828.92 g/mol
• Exact Mass: 828.28
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)c5cccnc5c4)c4ccccc4-c4ccccc43)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C46H39N3.Pt/c1-44(2,3)31-20-23-48-41(27-31)30-13-11-14-33(25-30)46(39-18-9-7-15-35(39)36-16-8-10-19-40(36)46)34-26-38(37-17-12-22-47-42(37)29-34)43-28-32(21-24-49-43)45(4,5)6;/h7-24,27-29H,1-6H3;/q-2;+2
• InChIKey: JWJCMXNZMDDHQH-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.92
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+) (CID 153428747) is 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)c5cccnc5c4)c4ccccc4-c4ccccc43)ccc2)c1.[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)?

The InChIKey is JWJCMXNZMDDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3.Pt/c1-44(2,3)31-20-23-48-41(27-31)30-13-11-14-33(25-30)46(39-18-9-7-15-35(39)36-16-8-10-19-40(36)46)34-26-38(37-17-12-22-47-42(37)29-34)43-28-32(21-24-49-43)45(4,5)6;/h7-24,27-29H,1-6H3;/q-2;+2.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+)?

5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+) has a molecular weight of 828.92 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]-6H-quinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).