[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium

C30H31FGeIrNO2- — CID 171764468

About [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium

[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium (PubChem CID 171764468) has the molecular formula C30H31FGeIrNO2- and a molecular weight of 721.41 g/mol. Its IUPAC name is [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium.

Molecular Properties

• Compound Name: [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium
• PubChem CID: 171764468
• Molecular Formula: C30H31FGeIrNO2-
• Molecular Weight: 721.41 g/mol
• Exact Mass: 723.12
• IUPAC Name: [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium
• SMILES: CC(=O)/C=C(/C)O.Cc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.[Ir]
• InChI: InChI=1S/C25H23FGeN.C5H8O2.Ir/c1-17-13-20(14-19-7-5-6-8-22(17)19)25-15-23(24(26)16-28-25)18-9-11-21(12-10-18)27(2,3)4;1-4(6)3-5(2)7;/h5-13,15-16H,1-4H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: QUUYTKFOOBDZRH-LWFKIUJUSA-N
• XLogP: 7.40
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.41
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium?

The IUPAC name of [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium (CID 171764468) is [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium.

What is the SMILES notation for [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium?

The canonical SMILES for [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium is CC(=O)/C=C(/C)O.Cc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.[Ir].

What is the InChIKey of [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium?

The InChIKey is QUUYTKFOOBDZRH-LWFKIUJUSA-N. The full InChI is InChI=1S/C25H23FGeN.C5H8O2.Ir/c1-17-13-20(14-19-7-5-6-8-22(17)19)25-15-23(24(26)16-28-25)18-9-11-21(12-10-18)27(2,3)4;1-4(6)3-5(2)7;/h5-13,15-16H,1-4H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

What are the key properties of [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium?

[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium has a molecular weight of 721.41 g/mol, XLogP of 7.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-4-hydroxypent-3-en-2-one;iridium is sourced from PubChem (CID 171764468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).