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

C31H34GeIrNO2- — CID 171764412

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

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane (PubChem CID 171764412) has the molecular formula C31H34GeIrNO2- and a molecular weight of 717.45 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane.

Molecular Properties

• Compound Name: (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
• PubChem CID: 171764412
• Molecular Formula: C31H34GeIrNO2-
• Molecular Weight: 717.45 g/mol
• Exact Mass: 719.14
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
• SMILES: CC(=O)/C=C(/C)O.Cc1cc([Ge](C)(C)C)ccc1-c1ccnc(-c2[c-]c3ccccc3c(C)c2)c1.[Ir]
• InChI: InChI=1S/C26H26GeN.C5H8O2.Ir/c1-18-14-22(16-20-8-6-7-9-24(18)20)26-17-21(12-13-28-26)25-11-10-23(15-19(25)2)27(3,4)5;1-4(6)3-5(2)7;/h6-15,17H,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-
• InChIKey: FRKCIAJBLDNMOF-LWFKIUJUSA-N
• XLogP: 7.57
• 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	717.45
LogP ≤ 5	7.57
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 (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane?

The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane (CID 171764412) is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane.

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

The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane is CC(=O)/C=C(/C)O.Cc1cc([Ge](C)(C)C)ccc1-c1ccnc(-c2[c-]c3ccccc3c(C)c2)c1.[Ir].

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

The InChIKey is FRKCIAJBLDNMOF-LWFKIUJUSA-N. The full InChI is InChI=1S/C26H26GeN.C5H8O2.Ir/c1-18-14-22(16-20-8-6-7-9-24(18)20)26-17-21(12-13-28-26)25-11-10-23(15-19(25)2)27(3,4)5;1-4(6)3-5(2)7;/h6-15,17H,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-;.

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

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane has a molecular weight of 717.45 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[3-methyl-4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane is sourced from PubChem (CID 171764412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).