1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)

C227H191F5Ge4Ir4N12O4-8 — CID 157351087

IUPAC1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c2oc3cc(-c4ccc(F)cc4)ccc3c12.Cc1cc(-c2ccc3c(c2)oc2c(-c4nc5ccc(F)cc5n4-c4c(-c5ccccc5)cccc4C(C)(C)C)[c-]ccc23)cc(C)c1F.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2c4ccc(-c5ccc(F)cc5)cc4ccc32)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C43H33F2N2O.C43H28FN2O.C43H34FN2O.C42H32FN2O.4C14H16GeN.4Ir/c1-25-21-29(22-26(2)39(25)45)28-17-19-32-33-14-9-15-34(41(33)48-38(32)23-28)42-46-36-20-18-30(44)24-37(36)47(42)40-31(27-11-7-6-8-12-27)13-10-16-35(40)43(3,4)5;1-26-23-32(28-9-4-3-5-10-28)24-27(2)40(26)46-39-14-7-6-13-38(39)45-43(46)37-12-8-11-35-36-22-18-31-25-30(29-15-19-33(44)20-16-29)17-21-34(31)41(36)47-42(35)37;1-26(2)36-23-31(28-11-6-5-7-12-28)24-37(27(3)4)41(36)46-39-16-9-8-15-38(39)45-43(46)35-14-10-13-34-33-22-19-30(25-40(33)47-42(34)35)29-17-20-32(44)21-18-29;1-26-14-21-33(40-39(26)32-22-17-29(24-38(32)46-40)27-15-19-31(43)20-16-27)41-44-35-12-8-9-13-37(35)45(41)36-23-18-30(42(2,3)4)25-34(36)28-10-6-5-7-11-28;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;;;;/h6-14,16-24H,1-5H3;3-11,13-25H,1-2H3;5-13,15-27H,1-4H3;5-20,22-25H,1-4H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyUGRVDQMLSFPXEJ-UHFFFAOYSA-N
MW4305.40 g/mol
LogP59.50
Rot. Bonds26

About 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)

1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) (PubChem CID 157351087) has the molecular formula C227H191F5Ge4Ir4N12O4-8 and a molecular weight of 4305.40 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane).

Molecular Properties

Compound Name1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
PubChem CID157351087
Molecular FormulaC227H191F5Ge4Ir4N12O4-8
Molecular Weight4305.40 g/mol
Exact Mass4311.04
IUPAC Name1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c2oc3cc(-c4ccc(F)cc4)ccc3c12.Cc1cc(-c2ccc3c(c2)oc2c(-c4nc5ccc(F)cc5n4-c4c(-c5ccccc5)cccc4C(C)(C)C)[c-]ccc23)cc(C)c1F.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2c4ccc(-c5ccc(F)cc5)cc4ccc32)nc2ccccc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C43H33F2N2O.C43H28FN2O.C43H34FN2O.C42H32FN2O.4C14H16GeN.4Ir/c1-25-21-29(22-26(2)39(25)45)28-17-19-32-33-14-9-15-34(41(33)48-38(32)23-28)42-46-36-20-18-30(44)24-37(36)47(42)40-31(27-11-7-6-8-12-27)13-10-16-35(40)43(3,4)5;1-26-23-32(28-9-4-3-5-10-28)24-27(2)40(26)46-39-14-7-6-13-38(39)45-43(46)37-12-8-11-35-36-22-18-31-25-30(29-15-19-33(44)20-16-29)17-21-34(31)41(36)47-42(35)37;1-26(2)36-23-31(28-11-6-5-7-12-28)24-37(27(3)4)41(36)46-39-16-9-8-15-38(39)45-43(46)35-14-10-13-34-33-22-19-30(25-40(33)47-42(34)35)29-17-20-32(44)21-18-29;1-26-14-21-33(40-39(26)32-22-17-29(24-38(32)46-40)27-15-19-31(43)20-16-27)41-44-35-12-8-9-13-37(35)45(41)36-23-18-30(42(2,3)4)25-34(36)28-10-6-5-7-11-28;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;;;;/h6-14,16-24H,1-5H3;3-11,13-25H,1-2H3;5-13,15-27H,1-4H3;5-20,22-25H,1-4H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;
InChIKeyUGRVDQMLSFPXEJ-UHFFFAOYSA-N
XLogP59.50
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004305.40
LogP ≤ 559.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)?
The IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) (CID 157351087) is 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane).
What is the SMILES notation for 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)?
The canonical SMILES for 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc(F)cc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c2oc3cc(-c4ccc(F)cc4)ccc3c12.Cc1cc(-c2ccc3c(c2)oc2c(-c4nc5ccc(F)cc5n4-c4c(-c5ccccc5)cccc4C(C)(C)C)[c-]ccc23)cc(C)c1F.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2c4ccc(-c5ccc(F)cc5)cc4ccc32)nc2ccccc21.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)?
The InChIKey is UGRVDQMLSFPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33F2N2O.C43H28FN2O.C43H34FN2O.C42H32FN2O.4C14H16GeN.4Ir/c1-25-21-29(22-26(2)39(25)45)28-17-19-32-33-14-9-15-34(41(33)48-38(32)23-28)42-46-36-20-18-30(44)24-37(36)47(42)40-31(27-11-7-6-8-12-27)13-10-16-35(40)43(3,4)5;1-26-23-32(28-9-4-3-5-10-28)24-27(2)40(26)46-39-14-7-6-13-38(39)45-43(46)37-12-8-11-35-36-22-18-31-25-30(29-15-19-33(44)20-16-29)17-21-34(31)41(36)47-42(35)37;1-26(2)36-23-31(28-11-6-5-7-12-28)24-37(27(3)4)41(36)46-39-16-9-8-15-38(39)45-43(46)35-14-10-13-34-33-22-19-30(25-40(33)47-42(34)35)29-17-20-32(44)21-18-29;1-26-14-21-33(40-39(26)32-22-17-29(24-38(32)46-40)27-15-19-31(43)20-16-27)41-44-35-12-8-9-13-37(35)45(41)36-23-18-30(42(2,3)4)25-34(36)28-10-6-5-7-11-28;4*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;;;;/h6-14,16-24H,1-5H3;3-11,13-25H,1-2H3;5-13,15-27H,1-4H3;5-20,22-25H,1-4H3;4*4-7,9-11H,1-3H3;;;;/q8*-1;;;;.
What are the key properties of 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane)?
1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) has a molecular weight of 4305.40 g/mol, XLogP of 59.50, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane) is sourced from PubChem (CID 157351087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).