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

C32H36GeIrNO2- — CID 171764485

IUPAC(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
SMILESCC(=O)/C=C(/C)O.CC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)ccn2)[c-]c2ccccc12.[Ir]
InChIInChI=1S/C27H28GeN.C5H8O2.Ir/c1-19(2)26-17-23(16-22-8-6-7-9-25(22)26)27-18-21(14-15-29-27)20-10-12-24(13-11-20)28(3,4)5;1-4(6)3-5(2)7;/h6-15,17-19H,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyKUPYUPXKOZMGHJ-LWFKIUJUSA-N
MW731.47 g/mol
LogP8.07
Rot. Bonds5

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

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane (PubChem CID 171764485) has the molecular formula C32H36GeIrNO2- and a molecular weight of 731.47 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
PubChem CID171764485
Molecular FormulaC32H36GeIrNO2-
Molecular Weight731.47 g/mol
Exact Mass733.16
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane
SMILESCC(=O)/C=C(/C)O.CC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)ccn2)[c-]c2ccccc12.[Ir]
InChIInChI=1S/C27H28GeN.C5H8O2.Ir/c1-19(2)26-17-23(16-22-8-6-7-9-25(22)26)27-18-21(14-15-29-27)20-10-12-24(13-11-20)28(3,4)5;1-4(6)3-5(2)7;/h6-15,17-19H,1-5H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyKUPYUPXKOZMGHJ-LWFKIUJUSA-N
XLogP8.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.47
LogP ≤ 58.07
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

(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
(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
[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
[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
(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[1-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-[1]benzofuro[2,3-c]pyridin-8-yl]silane
CID 166018588
4-[4-(difluoromethyl)-1H-naphthalen-1-id-2-yl]-9-phenylbenzo[f]isoquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 170520743
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;tris(2-methylpropyl)-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]germane
CID 177122644
(Z)-4-hydroxypent-3-en-2-one;iridium;3-[8-methyl-7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 177293388
2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-(4-phenylphenyl)pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 170539469
2-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-4-methylpyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 153311980
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-6-propan-2-yl-1-(4-propan-2-yl-1H-phenanthren-1-id-2-yl)isoquinoline
CID 170661013

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane (CID 171764485) is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-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-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane is CC(=O)/C=C(/C)O.CC(C)c1cc(-c2cc(-c3ccc([Ge](C)(C)C)cc3)ccn2)[c-]c2ccccc12.[Ir].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane?
The InChIKey is KUPYUPXKOZMGHJ-LWFKIUJUSA-N. The full InChI is InChI=1S/C27H28GeN.C5H8O2.Ir/c1-19(2)26-17-23(16-22-8-6-7-9-25(22)26)27-18-21(14-15-29-27)20-10-12-24(13-11-20)28(3,4)5;1-4(6)3-5(2)7;/h6-15,17-19H,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-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane?
(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane has a molecular weight of 731.47 g/mol, XLogP of 8.07, 5 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-[4-[2-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-4-pyridinyl]phenyl]germane is sourced from PubChem (CID 171764485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).