3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)

C47H35N3OPt — CID 164727849

About 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)

3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+) (PubChem CID 164727849) has the molecular formula C47H35N3OPt and a molecular weight of 852.90 g/mol. Its IUPAC name is 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+).

Molecular Properties

• Compound Name: 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)
• PubChem CID: 164727849
• Molecular Formula: C47H35N3OPt
• Molecular Weight: 852.90 g/mol
• Exact Mass: 852.24
• IUPAC Name: 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1n2-c1cccc(Oc2cc3c(c(-c4[c-]cccc4)n2)CC2(Cc4ccccc4C2)C3)n1.[Pt+2]
• InChI: InChI=1S/C47H35N3O.Pt/c1-30-12-10-13-31(2)45(30)33-22-23-41-38(24-33)37-18-8-9-19-40(37)50(41)42-20-11-21-43(48-42)51-44-25-36-28-47(26-34-16-6-7-17-35(34)27-47)29-39(36)46(49-44)32-14-4-3-5-15-32;/h3-14,16-18,20-25H,26-29H2,1-2H3;/q-2;+2
• InChIKey: KOZMFQYYBJPAMG-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.90
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)?

The IUPAC name of 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+) (CID 164727849) is 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+).

What is the SMILES notation for 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)?

The canonical SMILES for 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+) is Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1n2-c1cccc(Oc2cc3c(c(-c4[c-]cccc4)n2)CC2(Cc4ccccc4C2)C3)n1.[Pt+2].

What is the InChIKey of 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)?

The InChIKey is KOZMFQYYBJPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O.Pt/c1-30-12-10-13-31(2)45(30)33-22-23-41-38(24-33)37-18-8-9-19-40(37)50(41)42-20-11-21-43(48-42)51-44-25-36-28-47(26-34-16-6-7-17-35(34)27-47)29-39(36)46(49-44)32-14-4-3-5-15-32;/h3-14,16-18,20-25H,26-29H2,1-2H3;/q-2;+2.

What are the key properties of 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+)?

3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+) has a molecular weight of 852.90 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[[6-[6-(2,6-dimethylphenyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]oxy]-1'-phenylspiro[1,3-dihydroindene-2,6'-5,7-dihydrocyclopenta[c]pyridine];platinum(2+) is sourced from PubChem (CID 164727849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).