benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide

C140H120BF6Ir5N10-5 — CID 157112987

IUPACbenzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide
SMILESC.C.C.C.C.C.C.C.CN(c1ccccc1)c1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.Cc1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.FC(F)(F)c1[c-]c2c3ncccc3n(-c3ccccc3)c2c(C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1B2c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc(C2c3ccccc3-c3ccccc32)cc2c1c1ncccc1n2-c1ccccc1.c1ccccc1
InChIInChI=1S/C35H23BN.C30H19N2.C24H18N3.C19H9F6N2.C18H13N2.C6H6.8CH4.5Ir/c1-4-12-25(13-5-1)28-21-22-31-33(24-28)36(32-20-11-23-37-35(31)32)34-29(26-14-6-2-7-15-26)18-10-19-30(34)27-16-8-3-9-17-27;1-2-9-21(10-3-1)32-27-15-8-18-31-30(27)26-17-16-20(19-28(26)32)29-24-13-6-4-11-22(24)23-12-5-7-14-25(23)29;1-26(18-9-4-2-5-10-18)20-14-15-21-23(17-20)27(19-11-6-3-7-12-19)22-13-8-16-25-24(21)22;20-18(21,22)11-9-13-16-15(7-4-8-26-16)27(12-5-2-1-3-6-12)17(13)14(10-11)19(23,24)25;1-13-9-10-15-17(12-13)20(14-6-3-2-4-7-14)16-8-5-11-19-18(15)16;1-2-4-6-5-3-1;;;;;;;;;;;;;/h1-21,23-24H;1-16,18-19,29H;2-14,16-17H,1H3;1-8,10H;2-9,11-12H,1H3;1-6H;8*1H4;;;;;/q5*-1;;;;;;;;;;;;;;
InChIKeyWJHJOXKABYQAMQ-UHFFFAOYSA-N
MW3028.45 g/mol
LogP36.33
Rot. Bonds11

About benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide

benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide (PubChem CID 157112987) has the molecular formula C140H120BF6Ir5N10-5 and a molecular weight of 3028.45 g/mol. Its IUPAC name is benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide.

Molecular Properties

Compound Namebenzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide
PubChem CID157112987
Molecular FormulaC140H120BF6Ir5N10-5
Molecular Weight3028.45 g/mol
Exact Mass3030.79
IUPAC Namebenzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide
SMILESC.C.C.C.C.C.C.C.CN(c1ccccc1)c1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.Cc1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.FC(F)(F)c1[c-]c2c3ncccc3n(-c3ccccc3)c2c(C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1B2c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc(C2c3ccccc3-c3ccccc32)cc2c1c1ncccc1n2-c1ccccc1.c1ccccc1
InChIInChI=1S/C35H23BN.C30H19N2.C24H18N3.C19H9F6N2.C18H13N2.C6H6.8CH4.5Ir/c1-4-12-25(13-5-1)28-21-22-31-33(24-28)36(32-20-11-23-37-35(31)32)34-29(26-14-6-2-7-15-26)18-10-19-30(34)27-16-8-3-9-17-27;1-2-9-21(10-3-1)32-27-15-8-18-31-30(27)26-17-16-20(19-28(26)32)29-24-13-6-4-11-22(24)23-12-5-7-14-25(23)29;1-26(18-9-4-2-5-10-18)20-14-15-21-23(17-20)27(19-11-6-3-7-12-19)22-13-8-16-25-24(21)22;20-18(21,22)11-9-13-16-15(7-4-8-26-16)27(12-5-2-1-3-6-12)17(13)14(10-11)19(23,24)25;1-13-9-10-15-17(12-13)20(14-6-3-2-4-7-14)16-8-5-11-19-18(15)16;1-2-4-6-5-3-1;;;;;;;;;;;;;/h1-21,23-24H;1-16,18-19,29H;2-14,16-17H,1H3;1-8,10H;2-9,11-12H,1H3;1-6H;8*1H4;;;;;/q5*-1;;;;;;;;;;;;;;
InChIKeyWJHJOXKABYQAMQ-UHFFFAOYSA-N
XLogP36.33
TPSA87.41 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003028.45
LogP ≤ 536.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide?
The IUPAC name of benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide (CID 157112987) is benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide.
What is the SMILES notation for benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide?
The canonical SMILES for benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide is C.C.C.C.C.C.C.C.CN(c1ccccc1)c1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.Cc1c[c-]c2c3ncccc3n(-c3ccccc3)c2c1.FC(F)(F)c1[c-]c2c3ncccc3n(-c3ccccc3)c2c(C(F)(F)F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)cc2c1-c1ncccc1B2c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc(C2c3ccccc3-c3ccccc32)cc2c1c1ncccc1n2-c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide?
The InChIKey is WJHJOXKABYQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BN.C30H19N2.C24H18N3.C19H9F6N2.C18H13N2.C6H6.8CH4.5Ir/c1-4-12-25(13-5-1)28-21-22-31-33(24-28)36(32-20-11-23-37-35(31)32)34-29(26-14-6-2-7-15-26)18-10-19-30(34)27-16-8-3-9-17-27;1-2-9-21(10-3-1)32-27-15-8-18-31-30(27)26-17-16-20(19-28(26)32)29-24-13-6-4-11-22(24)23-12-5-7-14-25(23)29;1-26(18-9-4-2-5-10-18)20-14-15-21-23(17-20)27(19-11-6-3-7-12-19)22-13-8-16-25-24(21)22;20-18(21,22)11-9-13-16-15(7-4-8-26-16)27(12-5-2-1-3-6-12)17(13)14(10-11)19(23,24)25;1-13-9-10-15-17(12-13)20(14-6-3-2-4-7-14)16-8-5-11-19-18(15)16;1-2-4-6-5-3-1;;;;;;;;;;;;;/h1-21,23-24H;1-16,18-19,29H;2-14,16-17H,1H3;1-8,10H;2-9,11-12H,1H3;1-6H;8*1H4;;;;;/q5*-1;;;;;;;;;;;;;;.
What are the key properties of benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide?
benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide has a molecular weight of 3028.45 g/mol, XLogP of 36.33, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-(2,6-diphenylphenyl)-7-phenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;7-(9H-fluoren-9-yl)-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pentakis(iridium);methane;N-methyl-N,5-diphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine;7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;5-phenyl-6,8-bis(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide is sourced from PubChem (CID 157112987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).