bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)

C162H114IrN7O — CID 160661605

IUPACbis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C54H44N2.C51H30O.C24H16N2.3C11H8N.Ir/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-36H,1-4H3;1-30H;1-16H;3*1-6,8-9H;/q;;;3*-1;+3
InChIKeyYRAZIBNXBAXFQH-UHFFFAOYSA-N
MW2366.96 g/mol
LogP40.27
Rot. Bonds14

About bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)

bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) (PubChem CID 160661605) has the molecular formula C162H114IrN7O and a molecular weight of 2366.96 g/mol. Its IUPAC name is bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine).

Molecular Properties

Compound Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)
PubChem CID160661605
Molecular FormulaC162H114IrN7O
Molecular Weight2366.96 g/mol
Exact Mass2365.87
IUPAC Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C54H44N2.C51H30O.C24H16N2.3C11H8N.Ir/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-36H,1-4H3;1-30H;1-16H;3*1-6,8-9H;/q;;;3*-1;+3
InChIKeyYRAZIBNXBAXFQH-UHFFFAOYSA-N
XLogP40.27
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002366.96
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) with MolForge

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Related Compounds

bis(europium(3+));bis(1,10-phenanthroline);hexakis((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139137386
bis(neodymium(3+));hexakis((Z)-4,4,5,5,5-pentafluoro-1-naphthalen-2-yl-1-oxopent-2-en-3-olate);bis(1,10-phenanthroline)
CID 139149220
2-[[7-Tert-butyl-10-(4-tert-butylphenyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5,7-dimethyl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(10-naphthalen-1-yl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;6-[[10-quinolin-8-yl-7-(trifluoromethyl)spiro[acridine-9,9'-fluorene]-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[(4,5,10-triphenylspiro[acridine-9,9'-fluorene]-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158311018
1-[3-(4-Tert-butylphenyl)benzene-6-id-1-yl]isoquinoline;1-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;9-[3-[[4-[2-butyl-5-[4-(trifluoromethyl)isoquinolin-1-yl]benzene-4-id-1-yl]phenyl]methyl]phenyl]carbazole;4,6-difluoro-1-[4-fluoro-3-(4-propylphenyl)benzene-6-id-1-yl]isoquinoline;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentakis(iridium);pentane-2,4-dione
CID 158939314
1-[3-(4-Tert-butylphenyl)benzene-6-id-1-yl]isoquinoline;1-[3-(3-butylphenyl)-4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline;9-[3-[3-[2-butyl-5-[4-(trifluoromethyl)isoquinolin-1-yl]benzene-4-id-1-yl]phenyl]phenyl]carbazole;4,6-difluoro-1-[4-fluoro-3-(4-propylphenyl)benzene-6-id-1-yl]isoquinoline;2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)quinoxaline;pentakis(iridium);pentane-2,4-dione
CID 159251964
2-[3,5-bis(9,9-dimethylfluoren-2-yl)-2,4,6-trifluorophenyl]-9,9-dimethylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium;tris(1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)
CID 159740582
14-[3-[9,9-Dimethyl-7-[7-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazol-4-yl]fluoren-2-yl]-6-methylcarbazol-9-yl]-1,1,1-trifluoro-2-hydroxytetradec-2-en-4-one;iridium;2-phenylquinoline
CID 160573383
2-[3-[2,7-Di(carbazol-9-yl)-9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574278
2',3-Bis(1,10-phenanthrolin-2-yl)spiro[anthracene-10,9'-fluorene]-9-one
CID 59096347
Quinoxalin-5-yl-[6,6,12,12-tetramethyl-2-(quinoxaline-5-carbonyl)indeno[1,2-b]fluoren-8-yl]methanone
CID 59800962
Bis[3'-(10,10-dimethyl-10H-3,12-diazaindeno[2,1-b]fluoren-12-yl)biphenyl-3-yl]methanone
CID 66797698
[4-(11,11-Dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-quinoxalin-5-ylmethanone
CID 67472093

Frequently Asked Questions

What is the IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)?
The IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) (CID 160661605) is bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine).
What is the SMILES notation for bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)?
The canonical SMILES for bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)?
The InChIKey is YRAZIBNXBAXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2.C51H30O.C24H16N2.3C11H8N.Ir/c1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;52-49(31-25-27-39-37-17-5-11-23-45(37)50(47(39)29-31)41-19-7-1-13-33(41)34-14-2-8-20-42(34)50)32-26-28-40-38-18-6-12-24-46(38)51(48(40)30-32)43-21-9-3-15-35(43)36-16-4-10-22-44(36)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-36H,1-4H3;1-30H;1-16H;3*1-6,8-9H;/q;;;3*-1;+3.
What are the key properties of bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine)?
bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) has a molecular weight of 2366.96 g/mol, XLogP of 40.27, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9'-spirobi[fluorene]-2-yl)methanone;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4,7-diphenyl-1,10-phenanthroline;iridium(3+);tris(2-phenylpyridine) is sourced from PubChem (CID 160661605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).