[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium

C60H55GeIrN3OS2-2 — CID 155611531

IUPAC[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium
SMILESC[Ge](C)(C)c1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1CC1CCCC1.Cc1cnc(-c2[c-]c3c(nc2)oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1CC(C)(C)C.[Ir]
InChIInChI=1S/C34H27N2OS.C26H28GeNS.Ir/c1-20-18-35-29(16-21(20)17-34(2,3)4)22-15-28-25-11-7-10-24(31(25)37-33(28)36-19-22)27-13-8-12-26-23-9-5-6-14-30(23)38-32(26)27;1-27(2,3)23-17-28-24(16-19(23)15-18-9-4-5-10-18)22-13-8-12-21-20-11-6-7-14-25(20)29-26(21)22;/h5-14,16,18-19H,17H2,1-4H3;6-8,11-12,14,16-18H,4-5,9-10,15H2,1-3H3;/q2*-1;
InChIKeyUUXKIZRRDUEAPI-UHFFFAOYSA-N
MW1163.08 g/mol
LogP16.97
Rot. Bonds7

About [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium

[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium (PubChem CID 155611531) has the molecular formula C60H55GeIrN3OS2-2 and a molecular weight of 1163.08 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium
PubChem CID155611531
Molecular FormulaC60H55GeIrN3OS2-2
Molecular Weight1163.08 g/mol
Exact Mass1164.26
IUPAC Name[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium
SMILESC[Ge](C)(C)c1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1CC1CCCC1.Cc1cnc(-c2[c-]c3c(nc2)oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1CC(C)(C)C.[Ir]
InChIInChI=1S/C34H27N2OS.C26H28GeNS.Ir/c1-20-18-35-29(16-21(20)17-34(2,3)4)22-15-28-25-11-7-10-24(31(25)37-33(28)36-19-22)27-13-8-12-26-23-9-5-6-14-30(23)38-32(26)27;1-27(2,3)23-17-28-24(16-19(23)15-18-9-4-5-10-18)22-13-8-12-21-20-11-6-7-14-25(20)29-26(21)22;/h5-14,16,18-19H,17H2,1-4H3;6-8,11-12,14,16-18H,4-5,9-10,15H2,1-3H3;/q2*-1;
InChIKeyUUXKIZRRDUEAPI-UHFFFAOYSA-N
XLogP16.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.08
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium with MolForge

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Related Compounds

1-[4-[3-(4-Tert-butyl-2-pyridinyl)-5-methylphenoxy]naphthalen-2-yl]-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 176623415
7-[3-Tert-butyl-5-[3-tert-butyl-5-[2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridin-7-yl]phenoxy]phenyl]-2-(4-tert-butylphenyl)-4-(trifluoromethyl)thieno[2,3-c]pyridine
CID 177073439
2-[3-[7-[3,5-Bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophen-3-yl]benzene-6-id-1-yl]pyridine;2-(3-bromobenzene-6-id-1-yl)pyridine;iridium
CID 58915728
2-[3-[7-[3,5-Bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophen-3-yl]benzene-6-id-1-yl]pyridine;iridium
CID 58915734
2-[2-[(3Z,5E)-7-methylidene-9-[8-[(2E,4Z)-2-pyridin-2-ylhepta-2,4,6-trienyl]dibenzothiophen-2-yl]-2H-1-benzoxonin-5-yl]phenyl]pyridine
CID 88569173
8-[8-([1]Benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
CID 90250479
9-[(3Z,5E)-7-methylidene-9-(2-pyridin-2-ylphenyl)-2H-1-benzoxonin-5-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 117860435
3-[6-Butyl-2,8-bis(9-methylxanthen-9-yl)dibenzothiophen-4-yl]-4-methylpyridine
CID 118264510
3-[6-Butyl-2,8-bis(9-methylxanthen-9-yl)dibenzothiophen-4-yl]-2-methylpyridine
CID 118264511
3-Methyl-4-[8-(9-methylxanthen-9-yl)dibenzothiophen-4-yl]pyridine
CID 118264518
3-Methyl-4-[8-(9-methyl-2,7-diphenylxanthen-9-yl)dibenzothiophen-4-yl]pyridine
CID 118264520
4-Methyl-3-[8-(9-methylxanthen-9-yl)dibenzothiophen-4-yl]pyridine
CID 118264525

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium?
The IUPAC name of [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium (CID 155611531) is [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium.
What is the SMILES notation for [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium?
The canonical SMILES for [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium is C[Ge](C)(C)c1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1CC1CCCC1.Cc1cnc(-c2[c-]c3c(nc2)oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1CC(C)(C)C.[Ir].
What is the InChIKey of [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium?
The InChIKey is UUXKIZRRDUEAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N2OS.C26H28GeNS.Ir/c1-20-18-35-29(16-21(20)17-34(2,3)4)22-15-28-25-11-7-10-24(31(25)37-33(28)36-19-22)27-13-8-12-26-23-9-5-6-14-30(23)38-32(26)27;1-27(2,3)23-17-28-24(16-19(23)15-18-9-4-5-10-18)22-13-8-12-21-20-11-6-7-14-25(20)29-26(21)22;/h5-14,16,18-19H,17H2,1-4H3;6-8,11-12,14,16-18H,4-5,9-10,15H2,1-3H3;/q2*-1;.
What are the key properties of [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium?
[4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium has a molecular weight of 1163.08 g/mol, XLogP of 16.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-(3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]-trimethylgermane;8-dibenzothiophen-4-yl-3-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-4H-[1]benzofuro[2,3-b]pyridin-4-ide;iridium is sourced from PubChem (CID 155611531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).