2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine

C161H106IrN11- — CID 157250340

IUPAC2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)c3)n2)cc1
InChIInChI=1S/C54H35N3.C51H33N5.C45H30N2.C11H8N.Ir/c1-5-19-36(20-6-1)51-55-52(37-21-7-2-8-22-37)57-53(56-51)50-45-30-15-13-28-43(45)49(44-29-14-16-31-46(44)50)38-33-34-42-41-27-17-18-32-47(41)54(48(42)35-38,39-23-9-3-10-24-39)40-25-11-4-12-26-40;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-11-13-26-46(41)56(47(43)32-37)40-28-30-44-42-24-10-12-25-45(42)55(48(44)33-40)39-21-8-3-9-22-39;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-35H;1-33H;1-30H;1-6,8-9H;/q;;;-1;
InChIKeyBFPMHNPDRYEFEY-UHFFFAOYSA-N
MW2386.91 g/mol
LogP40.49
Rot. Bonds18

About 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine (PubChem CID 157250340) has the molecular formula C161H106IrN11- and a molecular weight of 2386.91 g/mol. Its IUPAC name is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine
PubChem CID157250340
Molecular FormulaC161H106IrN11-
Molecular Weight2386.91 g/mol
Exact Mass2385.83
IUPAC Name2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)c3)n2)cc1
InChIInChI=1S/C54H35N3.C51H33N5.C45H30N2.C11H8N.Ir/c1-5-19-36(20-6-1)51-55-52(37-21-7-2-8-22-37)57-53(56-51)50-45-30-15-13-28-43(45)49(44-29-14-16-31-46(44)50)38-33-34-42-41-27-17-18-32-47(41)54(48(42)35-38,39-23-9-3-10-24-39)40-25-11-4-12-26-40;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-11-13-26-46(41)56(47(43)32-37)40-28-30-44-42-24-10-12-25-45(42)55(48(44)33-40)39-21-8-3-9-22-39;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-35H;1-33H;1-30H;1-6,8-9H;/q;;;-1;
InChIKeyBFPMHNPDRYEFEY-UHFFFAOYSA-N
XLogP40.49
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.91
LogP ≤ 540.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine with MolForge

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Related Compounds

3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;iridium(3+);4-phenyl-2-phenylpyridine;bis(2-phenylpyridine)
CID 159269416
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-(9,9-diphenylfluoren-3-yl)-N,N-diphenylaniline;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158773393
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine
CID 160802745
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
CID 160526789
CID 160526789
CID 159190211
CID 159190211
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
CID 160785329
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine?
The IUPAC name of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine (CID 157250340) is 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine.
What is the SMILES notation for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine?
The canonical SMILES for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine is [Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine?
The InChIKey is BFPMHNPDRYEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C51H33N5.C45H30N2.C11H8N.Ir/c1-5-19-36(20-6-1)51-55-52(37-21-7-2-8-22-37)57-53(56-51)50-45-30-15-13-28-43(45)49(44-29-14-16-31-46(44)50)38-33-34-42-41-27-17-18-32-47(41)54(48(42)35-38,39-23-9-3-10-24-39)40-25-11-4-12-26-40;1-4-15-34(16-5-1)49-52-50(35-17-6-2-7-18-35)54-51(53-49)38-20-14-19-36(31-38)37-27-29-43-41-23-11-13-26-46(41)56(47(43)32-37)40-28-30-44-42-24-10-12-25-45(42)55(48(44)33-40)39-21-8-3-9-22-39;1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-35H;1-33H;1-30H;1-6,8-9H;/q;;;-1;.
What are the key properties of 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine?
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine has a molecular weight of 2386.91 g/mol, XLogP of 40.49, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-2-yl)carbazole;iridium;2-phenylpyridine is sourced from PubChem (CID 157250340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).