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

C38H47FGeIrNO2- — CID 171764464

IUPAC[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
SMILESCCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.Cc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.[Ir]
InChIInChI=1S/C25H23FGeN.C13H24O2.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;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h5-13,15-16H,1-4H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;
InChIKeyCHDGRSQMAXVUJH-MEILSSRFSA-N
MW833.62 g/mol
LogP10.23
Rot. Bonds8

About [4-[5-fluoro-2-(4-methyl-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-methyl-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 171764464) has the molecular formula C38H47FGeIrNO2- and a molecular weight of 833.62 g/mol. Its IUPAC name is [4-[5-fluoro-2-(4-methyl-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-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
PubChem CID171764464
Molecular FormulaC38H47FGeIrNO2-
Molecular Weight833.62 g/mol
Exact Mass835.24
IUPAC Name[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
SMILESCCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.Cc1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)c(F)cn2)[c-]c2ccccc12.[Ir]
InChIInChI=1S/C25H23FGeN.C13H24O2.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;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h5-13,15-16H,1-4H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;
InChIKeyCHDGRSQMAXVUJH-MEILSSRFSA-N
XLogP10.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.62
LogP ≤ 510.23
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'}

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Related Compounds

[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
[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
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;iridium
CID 171764490
[2-(3,5-dimethylbenzene-6-id-1-yl)-4-phenylquinolin-6-yl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 156675645
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;3-[6-(4-trimethylgermylphenyl)isoquinolin-1-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 176878633
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;trimethyl-[4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
CID 171764463
3-(3-ethyl-5-methylbenzene-6-id-1-yl)isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 153463390
(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
(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]-3-(trifluoromethyl)phenyl]germane
CID 171764495
8-(2,6-dimethylphenyl)-4-[4-(trifluoromethyl)-1H-naphthalen-1-id-2-yl]benzo[f]isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 170520714
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;1-(1H-naphthalen-1-id-2-yl)benzo[h]isoquinoline
CID 162482605
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;3-[7-(4-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 177293384

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)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
The IUPAC name of [4-[5-fluoro-2-(4-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium (CID 171764464) is [4-[5-fluoro-2-(4-methyl-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-methyl-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-methyl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]-trimethylgermane;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium is CCC(C)(C)C(=O)/C=C(\O)C(C)(C)CC.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)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium?
The InChIKey is CHDGRSQMAXVUJH-MEILSSRFSA-N. The full InChI is InChI=1S/C25H23FGeN.C13H24O2.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;1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;/h5-13,15-16H,1-4H3;9,14H,7-8H2,1-6H3;/q-1;;/b;10-9-;.
What are the key properties of [4-[5-fluoro-2-(4-methyl-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-methyl-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 833.62 g/mol, XLogP of 10.23, 8 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)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium is sourced from PubChem (CID 171764464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).