2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine

C168H120Ir4N8O6S-8 — CID 158744128

IUPAC2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c[c-]c(-c3nccc4c3Cc3ccccc3C4)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C28H22NO.C23H14NS.C23H16N.2C20H16NO.C20H16N.C17H10NO2.C17H10NO.4Ir/c1-28(2)23-9-5-6-10-25(23)30-26-12-11-21(17-24(26)28)27-22-16-19-8-4-3-7-18(19)15-20(22)13-14-29-27;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-3-8-18(9-4-1)20-12-7-13-22(16-20)23-17-21(14-15-24-23)19-10-5-2-6-11-19;2*1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-20(2)17-11-4-3-8-14(17)15-9-7-10-16(19(15)20)18-12-5-6-13-21-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;/h3-10,12-14,17H,15-16H2,1-2H3;1-10,12-15H;1-12,14-17H;2*3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;1-5,7-11H;1-7,9-11H;;;;/q8*-1;;;;
InChIKeyHVURVRWNLGZNQQ-UHFFFAOYSA-N
MW3147.79 g/mol
LogP42.64
Rot. Bonds11

About 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine

2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine (PubChem CID 158744128) has the molecular formula C168H120Ir4N8O6S-8 and a molecular weight of 3147.79 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
PubChem CID158744128
Molecular FormulaC168H120Ir4N8O6S-8
Molecular Weight3147.79 g/mol
Exact Mass3148.76
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c[c-]c(-c3nccc4c3Cc3ccccc3C4)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C28H22NO.C23H14NS.C23H16N.2C20H16NO.C20H16N.C17H10NO2.C17H10NO.4Ir/c1-28(2)23-9-5-6-10-25(23)30-26-12-11-21(17-24(26)28)27-22-16-19-8-4-3-7-18(19)15-20(22)13-14-29-27;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-3-8-18(9-4-1)20-12-7-13-22(16-20)23-17-21(14-15-24-23)19-10-5-2-6-11-19;2*1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-20(2)17-11-4-3-8-14(17)15-9-7-10-16(19(15)20)18-12-5-6-13-21-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;/h3-10,12-14,17H,15-16H2,1-2H3;1-10,12-15H;1-12,14-17H;2*3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;1-5,7-11H;1-7,9-11H;;;;/q8*-1;;;;
InChIKeyHVURVRWNLGZNQQ-UHFFFAOYSA-N
XLogP42.64
TPSA162.41 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003147.79
LogP ≤ 542.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine with MolForge

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Related Compounds

CID 157225149
CID 157225149
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 159039278
CID 159961606
CID 159961606
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 161209666
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163905677
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 58501591
7-[5-[2-[7-[2-[4-(7aH-indol-3-yl)naphthalen-1-yl]ethenyl]-9-(3-methylbutan-2-yl)dibenzothiophen-3-yl]ethenyl]-8-indol-1-ium-3-yl-3-methyl-3,4-dihydronaphthalen-1-yl]-1-[4-[2-[7-[2-[4-(2-methyl-3H-isoquinolin-1-yl)phenyl]ethenyl]dibenzofuran-3-yl]ethenyl]phenyl]isoquinoline
CID 91803545
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477892
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)-5,6-dihydronaphthalen-2-yl]pyridine
CID 118477925
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477935

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine (CID 158744128) is 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine is CC1(C)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2c[c-]c(-c3nccc4c3Cc3ccccc3C4)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)ccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccc2c(sc3ccccc32)c1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
The InChIKey is HVURVRWNLGZNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22NO.C23H14NS.C23H16N.2C20H16NO.C20H16N.C17H10NO2.C17H10NO.4Ir/c1-28(2)23-9-5-6-10-25(23)30-26-12-11-21(17-24(26)28)27-22-16-19-8-4-3-7-18(19)15-20(22)13-14-29-27;1-2-7-16(8-3-1)17-13-14-24-21(15-17)20-11-6-10-19-18-9-4-5-12-22(18)25-23(19)20;1-3-8-18(9-4-1)20-12-7-13-22(16-20)23-17-21(14-15-24-23)19-10-5-2-6-11-19;2*1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-20(2)17-11-4-3-8-14(17)15-9-7-10-16(19(15)20)18-12-5-6-13-21-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;;;;/h3-10,12-14,17H,15-16H2,1-2H3;1-10,12-15H;1-12,14-17H;2*3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;1-5,7-11H;1-7,9-11H;;;;/q8*-1;;;;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine?
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine has a molecular weight of 3147.79 g/mol, XLogP of 42.64, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;1-(9,9-dimethyl-3H-xanthen-3-id-2-yl)-5,10-dihydrobenzo[g]isoquinoline;bis(2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine);tetrakis(iridium);4-phenyl-2-(3-phenylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 158744128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).