[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium

C40H51FGeIrNO2- — CID 171764511

IUPAC[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
SMILESCC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.[Ir]
InChIInChI=1S/C27H27FGeN.C13H24O2.Ir/c1-18(2)24-15-21(14-20-8-6-7-9-23(20)24)27-16-25(26(28)17-30-27)19-10-12-22(13-11-19)29(3,4)5;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h6-13,15-18H,1-5H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;
InChIKeyFGGOACQOLBERNI-MEILSSRFSA-N
MW861.68 g/mol
LogP11.04
Rot. Bonds9

About [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium

[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium (PubChem CID 171764511) has the molecular formula C40H51FGeIrNO2- and a molecular weight of 861.68 g/mol. Its IUPAC name is [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium.

Molecular Properties

Compound Name[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
PubChem CID171764511
Molecular FormulaC40H51FGeIrNO2-
Molecular Weight861.68 g/mol
Exact Mass863.28
IUPAC Name[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
SMILESCC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.[Ir]
InChIInChI=1S/C27H27FGeN.C13H24O2.Ir/c1-18(2)24-15-21(14-20-8-6-7-9-23(20)24)27-16-25(26(28)17-30-27)19-10-12-22(13-11-19)29(3,4)5;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h6-13,15-18H,1-5H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;
InChIKeyFGGOACQOLBERNI-MEILSSRFSA-N
XLogP11.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.68
LogP ≤ 511.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
The IUPAC name of [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium (CID 171764511) is [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium.
What is the SMILES notation for [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
The canonical SMILES for [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium is CC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.[Ir].
What is the InChIKey of [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
The InChIKey is FGGOACQOLBERNI-MEILSSRFSA-N. The full InChI is InChI=1S/C27H27FGeN.C13H24O2.Ir/c1-18(2)24-15-21(14-20-8-6-7-9-23(20)24)27-16-25(26(28)17-30-27)19-10-12-22(13-11-19)29(3,4)5;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h6-13,15-18H,1-5H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;.
What are the key properties of [4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
[4-[5-fluoro-2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium has a molecular weight of 861.68 g/mol, XLogP of 11.04, 9 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-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium is sourced from PubChem (CID 171764511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).