3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

C194H177Ge4Ir4N13O2S-8 — CID 161097279

IUPAC3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2c3ccccc3ccc21.Cc1cccc(C)c1-n1c(-c2[c-]cc3sc4ccccc4c3c2)nc2cc3ccccc3cc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1nc3cc4ccccc4cc3n1Cc1ccccc1)c1ccccc1n2-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C36H24N3.C31H21N2S.C29H17N2O.C26H19N2O.4C18H24GeN.4Ir/c1-3-11-25(12-4-1)24-38-35-23-27-14-8-7-13-26(27)22-32(35)37-36(38)28-19-20-34-31(21-28)30-17-9-10-18-33(30)39(34)29-15-5-2-6-16-29;1-19-8-7-9-20(2)30(19)33-27-18-22-11-4-3-10-21(22)17-26(27)32-31(33)23-14-15-29-25(16-23)24-12-5-6-13-28(24)34-29;1-2-9-21(10-3-1)31-28-22-11-5-4-8-19(22)14-16-25(28)30-29(31)20-15-17-27-24(18-20)23-12-6-7-13-26(23)32-27;1-16(2)28-22-13-11-17-7-3-4-8-19(17)25(22)27-26(28)18-12-14-24-21(15-18)20-9-5-6-10-23(20)29-24;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h1-18,20-23H,24H2;3-13,15-18H,1-2H3;1-14,16-18H;3-11,13-16H,1-2H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;
InChIKeyUBMBCNOKZRCMRD-UHFFFAOYSA-N
MW3814.01 g/mol
LogP49.27
Rot. Bonds26

About 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)

3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (PubChem CID 161097279) has the molecular formula C194H177Ge4Ir4N13O2S-8 and a molecular weight of 3814.01 g/mol. Its IUPAC name is 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).

Molecular Properties

Compound Name3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
PubChem CID161097279
Molecular FormulaC194H177Ge4Ir4N13O2S-8
Molecular Weight3814.01 g/mol
Exact Mass3819.93
IUPAC Name3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2c3ccccc3ccc21.Cc1cccc(C)c1-n1c(-c2[c-]cc3sc4ccccc4c3c2)nc2cc3ccccc3cc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1nc3cc4ccccc4cc3n1Cc1ccccc1)c1ccccc1n2-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C36H24N3.C31H21N2S.C29H17N2O.C26H19N2O.4C18H24GeN.4Ir/c1-3-11-25(12-4-1)24-38-35-23-27-14-8-7-13-26(27)22-32(35)37-36(38)28-19-20-34-31(21-28)30-17-9-10-18-33(30)39(34)29-15-5-2-6-16-29;1-19-8-7-9-20(2)30(19)33-27-18-22-11-4-3-10-21(22)17-26(27)32-31(33)23-14-15-29-25(16-23)24-12-5-6-13-28(24)34-29;1-2-9-21(10-3-1)31-28-22-11-5-4-8-19(22)14-16-25(28)30-29(31)20-15-17-27-24(18-20)23-12-6-7-13-26(23)32-27;1-16(2)28-22-13-11-17-7-3-4-8-19(17)25(22)27-26(28)18-12-14-24-21(15-18)20-9-5-6-10-23(20)29-24;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h1-18,20-23H,24H2;3-13,15-18H,1-2H3;1-14,16-18H;3-11,13-16H,1-2H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;
InChIKeyUBMBCNOKZRCMRD-UHFFFAOYSA-N
XLogP49.27
TPSA154.05 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003814.01
LogP ≤ 549.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) with MolForge

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Related Compounds

CID 157442309
CID 157442309
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
CID 157652393
CID 157652393
CID 157919034
CID 157919034
1-(4-tert-butylphenyl)-2-(8-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2,6-dimethyl-4-pyridinyl)-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;octakis(iridium);1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;octakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 158079780
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenylpyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158170112
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;6-fluoro-9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide;octakis(iridium);2-(8-methyl-3H-dibenzofuran-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole;2-(4-octylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 159232514
CID 159485479
CID 159485479
1-(4-tert-butyl-2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;tris([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium)
CID 160047734
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;tetrakis(iridium);1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 160659783
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The IUPAC name of 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) (CID 161097279) is 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane).
What is the SMILES notation for 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The canonical SMILES for 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2c3ccccc3ccc21.Cc1cccc(C)c1-n1c(-c2[c-]cc3sc4ccccc4c3c2)nc2cc3ccccc3cc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1nc3cc4ccccc4cc3n1Cc1ccccc1)c1ccccc1n2-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1ccccc1.
What is the InChIKey of 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
The InChIKey is UBMBCNOKZRCMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N3.C31H21N2S.C29H17N2O.C26H19N2O.4C18H24GeN.4Ir/c1-3-11-25(12-4-1)24-38-35-23-27-14-8-7-13-26(27)22-32(35)37-36(38)28-19-20-34-31(21-28)30-17-9-10-18-33(30)39(34)29-15-5-2-6-16-29;1-19-8-7-9-20(2)30(19)33-27-18-22-11-4-3-10-21(22)17-26(27)32-31(33)23-14-15-29-25(16-23)24-12-5-6-13-28(24)34-29;1-2-9-21(10-3-1)31-28-22-11-5-4-8-19(22)14-16-25(28)30-29(31)20-15-17-27-24(18-20)23-12-6-7-13-26(23)32-27;1-16(2)28-22-13-11-17-7-3-4-8-19(17)25(22)27-26(28)18-12-14-24-21(15-18)20-9-5-6-10-23(20)29-24;4*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;;;;/h1-18,20-23H,24H2;3-13,15-18H,1-2H3;1-14,16-18H;3-11,13-16H,1-2H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;.
What are the key properties of 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)?
3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) has a molecular weight of 3814.01 g/mol, XLogP of 49.27, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(9-phenyl-2H-carbazol-2-id-3-yl)benzo[f]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-phenylbenzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-3-propan-2-ylbenzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2,6-dimethylphenyl)benzo[f]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane) is sourced from PubChem (CID 161097279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).