iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C42H40GeIrN2S-2 — CID 166574587

IUPACiridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCCC(CC)c1ccnc(-c2[c-]cc3sc4ccc(-c5ccccc5)cc4c3c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C28H24NS.C14H16GeN.Ir/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-10,12-19H,3-4H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyRLQIGGKIINQHPX-UHFFFAOYSA-N
MW869.69 g/mol
LogP11.58
Rot. Bonds7

About iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166574587) has the molecular formula C42H40GeIrN2S-2 and a molecular weight of 869.69 g/mol. Its IUPAC name is iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID166574587
Molecular FormulaC42H40GeIrN2S-2
Molecular Weight869.69 g/mol
Exact Mass871.18
IUPAC Nameiridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCCC(CC)c1ccnc(-c2[c-]cc3sc4ccc(-c5ccccc5)cc4c3c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C28H24NS.C14H16GeN.Ir/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-10,12-19H,3-4H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyRLQIGGKIINQHPX-UHFFFAOYSA-N
XLogP11.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.69
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine
CID 166574644
4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 169038565
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577806
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]germane
CID 164832483
iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171435755
iridium;4-(3-methylbutan-2-yl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574084
iridium;2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574198
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
4-tert-butyl-2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577225
4-(2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574875
[4-[8-[4-(3,3-dimethylbutan-2-yl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575608

Frequently Asked Questions

What is the IUPAC name of iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166574587) is iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is CCC(CC)c1ccnc(-c2[c-]cc3sc4ccc(-c5ccccc5)cc4c3c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is RLQIGGKIINQHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NS.C14H16GeN.Ir/c1-3-19(4-2)22-14-15-29-26(18-22)23-11-13-28-25(17-23)24-16-21(10-12-27(24)30-28)20-8-6-5-7-9-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-10,12-19H,3-4H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 869.69 g/mol, XLogP of 11.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166574587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).