1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid

C99H95N4O8Pt- — CID 153309723

About 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid

1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid (PubChem CID 153309723) has the molecular formula C99H95N4O8Pt- and a molecular weight of 1663.95 g/mol. Its IUPAC name is 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid
• PubChem CID: 153309723
• Molecular Formula: C99H95N4O8Pt-
• Molecular Weight: 1663.95 g/mol
• Exact Mass: 1662.68
• IUPAC Name: 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid
• SMILES: CCCC1(CCC)c2cc(-c3ccc(OCCCCCCN4C(=O)C=CC4=O)cc3)ccc2-c2ccc(-c3ccc(-c4c[c-]c(-c5ccc(-c6ccc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(OCCCCCCN%10C(=O)C=CC%10=O)cc9)ccc7-8)cc6)cn5)cc4)cc3)cc21.O=C(O)c1ccccn1.[Pt]
• InChI: InChI=1S/C93H90N3O6.C6H5NO2.Pt/c1-5-51-92(52-6-2)83-59-72(33-42-79(83)81-44-35-74(61-85(81)92)68-29-38-77(39-30-68)101-57-15-11-9-13-55-95-88(97)47-48-89(95)98)66-19-17-64(18-20-66)65-25-27-71(28-26-65)87-46-37-76(63-94-87)70-23-21-67(22-24-70)73-34-43-80-82-45-36-75(62-86(82)93(53-7-3,54-8-4)84(80)60-73)69-31-40-78(41-32-69)102-58-16-12-10-14-56-96-90(99)49-50-91(96)100;8-6(9)5-3-1-2-4-7-5;/h17-27,29-50,59-63H,5-16,51-58H2,1-4H3;1-4H,(H,8,9);/q-1
• InChIKey: SBLJXIUQPYLITB-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 156.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 32
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1663.95
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid?

The IUPAC name of 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid (CID 153309723) is 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid.

What is the SMILES notation for 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid?

The canonical SMILES for 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid is CCCC1(CCC)c2cc(-c3ccc(OCCCCCCN4C(=O)C=CC4=O)cc3)ccc2-c2ccc(-c3ccc(-c4c[c-]c(-c5ccc(-c6ccc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc(OCCCCCCN%10C(=O)C=CC%10=O)cc9)ccc7-8)cc6)cn5)cc4)cc3)cc21.O=C(O)c1ccccn1.[Pt].

What is the InChIKey of 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid?

The InChIKey is SBLJXIUQPYLITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H90N3O6.C6H5NO2.Pt/c1-5-51-92(52-6-2)83-59-72(33-42-79(83)81-44-35-74(61-85(81)92)68-29-38-77(39-30-68)101-57-15-11-9-13-55-95-88(97)47-48-89(95)98)66-19-17-64(18-20-66)65-25-27-71(28-26-65)87-46-37-76(63-94-87)70-23-21-67(22-24-70)73-34-43-80-82-45-36-75(62-86(82)93(53-7-3,54-8-4)84(80)60-73)69-31-40-78(41-32-69)102-58-16-12-10-14-56-96-90(99)49-50-91(96)100;8-6(9)5-3-1-2-4-7-5;/h17-27,29-50,59-63H,5-16,51-58H2,1-4H3;1-4H,(H,8,9);/q-1;;.

What are the key properties of 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid?

1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid has a molecular weight of 1663.95 g/mol, XLogP of 22.79, 32 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[7-[4-[4-[5-[4-[7-[4-[6-(2,5-dioxopyrrol-1-yl)hexoxy]phenyl]-9,9-dipropylfluoren-2-yl]phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl]pyrrole-2,5-dione;platinum;pyridine-2-carboxylic acid is sourced from PubChem (CID 153309723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).