bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine

C106H78N4O6Pt2 — CID 158459464

About bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine

bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine (PubChem CID 158459464) has the molecular formula C106H78N4O6Pt2 and a molecular weight of 1893.97 g/mol. Its IUPAC name is bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine.

Molecular Properties

• Compound Name: bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
• PubChem CID: 158459464
• Molecular Formula: C106H78N4O6Pt2
• Molecular Weight: 1893.97 g/mol
• Exact Mass: 1892.52
• IUPAC Name: bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.[Pt+2].[Pt].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.c1ccc(C2(c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)nc1
• InChI: InChI=1S/C48H32N2O.C48H30N2O.2C5H8O2.2Pt/c2*1-5-23-41-37(19-1)38-20-2-6-24-42(38)47(41,45-27-9-11-29-49-45)33-15-13-17-35(31-33)51-36-18-14-16-34(32-36)48(46-28-10-12-30-50-46)43-25-7-3-21-39(43)40-22-4-8-26-44(40)48;2*1-4(6)3-5(2)7;;/h1-32H;1-30H;2*3,6H,1-2H3;;/q;-2;;;;+2
• InChIKey: KXSZAOXSUBKSQB-UHFFFAOYSA-N
• XLogP: 23.66
• TPSA: 144.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1893.97
LogP ≤ 5	23.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?

The IUPAC name of bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine (CID 158459464) is bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine.

What is the SMILES notation for bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?

The canonical SMILES for bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.[Pt+2].[Pt].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4-c4ccccc43)ccc2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.c1ccc(C2(c3cccc(Oc4cccc(C5(c6ccccn6)c6ccccc6-c6ccccc65)c4)c3)c3ccccc3-c3ccccc32)nc1.

What is the InChIKey of bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?

The InChIKey is KXSZAOXSUBKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O.C48H30N2O.2C5H8O2.2Pt/c2*1-5-23-41-37(19-1)38-20-2-6-24-42(38)47(41,45-27-9-11-29-49-45)33-15-13-17-35(31-33)51-36-18-14-16-34(32-36)48(46-28-10-12-30-50-46)43-25-7-3-21-39(43)40-22-4-8-26-44(40)48;2*1-4(6)3-5(2)7;;/h1-32H;1-30H;2*3,6H,1-2H3;;/q;-2;;;;+2.

What are the key properties of bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?

bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine has a molecular weight of 1893.97 g/mol, XLogP of 23.66, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 158459464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).