bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine

C115H72Ir6N7O2S4-7 — CID 157124934

IUPACbis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine
SMILESCc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.Cc1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H12NS.2C17H10NO.2C17H10NS.C11H8N.6Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h2-6,8-11H,1H3;2-5,7-11H,1H3;4*1-7,9-11H;1-6,8-9H;;;;;;/q7*-1;;;;;;
InChIKeyIPNPCRDCSQMQMH-UHFFFAOYSA-N
MW2865.46 g/mol
LogP31.71
Rot. Bonds7

About bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine

bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine (PubChem CID 157124934) has the molecular formula C115H72Ir6N7O2S4-7 and a molecular weight of 2865.46 g/mol. Its IUPAC name is bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine.

Molecular Properties

Compound Namebis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine
PubChem CID157124934
Molecular FormulaC115H72Ir6N7O2S4-7
Molecular Weight2865.46 g/mol
Exact Mass2868.24
IUPAC Namebis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine
SMILESCc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.Cc1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C18H12NS.2C17H10NO.2C17H10NS.C11H8N.6Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h2-6,8-11H,1H3;2-5,7-11H,1H3;4*1-7,9-11H;1-6,8-9H;;;;;;/q7*-1;;;;;;
InChIKeyIPNPCRDCSQMQMH-UHFFFAOYSA-N
XLogP31.71
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002865.46
LogP ≤ 531.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine with MolForge

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Related Compounds

iridium;iridium(3+);methanol;2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-methyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 157068741
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenyl-5-propan-2-ylpyridine);trifluoromethanesulfonate
CID 157195204
CID 157225149
CID 157225149
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
iridium;iridium(3+);methanol;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-propan-2-yldibenzofuran-4-yl)pyridine;trifluoromethanesulfonate
CID 157257079
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(2-methyl-6-phenylpyridine);trifluoromethanesulfonate
CID 157329600
2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;2-dibenzofuran-4-yl-4-propan-2-ylpyridine;bis(iridium(3+));methanol;tetrakis(5-methyl-2-phenylpyridine);trifluoromethanesulfonate
CID 157423508
2-(3H-dibenzofuran-3-id-4-yl)-4-ethylpyridine;2-dibenzofuran-4-yl-4-ethylpyridine;bis(iridium(3+));methanol;tetrakis(2-phenylpyridine);trifluoromethanesulfonate
CID 157444017
5-(1-benzofuran-2-yl)-9H-pyrido[3,2-b]indol-9-ide;5-(1-benzothiophen-2-yl)-9H-pyrido[3,2-b]indol-9-ide;5-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-6,8-bis(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-7-naphthalen-1-yl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);5-(3-phenyl-1-benzothiophen-2-yl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide
CID 157555136
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
iridium;iridium(3+);methanol;4-methyl-2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine;4-methyl-2-(6-propan-2-yldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 158279873

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine?
The IUPAC name of bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine (CID 157124934) is bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine.
What is the SMILES notation for bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine?
The canonical SMILES for bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine is Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.Cc1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2sc3ccccc3c2cc1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine?
The InChIKey is IPNPCRDCSQMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12NS.2C17H10NO.2C17H10NS.C11H8N.6Ir/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;3*1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h2-6,8-11H,1H3;2-5,7-11H,1H3;4*1-7,9-11H;1-6,8-9H;;;;;;/q7*-1;;;;;;.
What are the key properties of bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine?
bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine has a molecular weight of 2865.46 g/mol, XLogP of 31.71, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)pyridine;hexakis(iridium);2-phenylpyridine is sourced from PubChem (CID 157124934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).