2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine

C183H138IrN7O- — CID 160950922

IUPAC2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1ccccc1.Cc1cccnc1-c1ccccc1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir]
InChIInChI=1S/C54H44N2.C51H30O.C42H32N2.2C12H11N.C12H10N.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;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;3*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h5-36H,1-4H3;1-30H;5-24H,1-4H3;2*2-9H,1H3;2-7,9H,1H3;/q;;;;;-1;
InChIKeyDWUPJEIPAOMKSI-UHFFFAOYSA-N
MW2643.38 g/mol
LogP46.21
Rot. Bonds14

About 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine (PubChem CID 160950922) has the molecular formula C183H138IrN7O- and a molecular weight of 2643.38 g/mol. Its IUPAC name is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine.

Molecular Properties

Compound Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine
PubChem CID160950922
Molecular FormulaC183H138IrN7O-
Molecular Weight2643.38 g/mol
Exact Mass2642.06
IUPAC Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1ccccc1.Cc1cccnc1-c1ccccc1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir]
InChIInChI=1S/C54H44N2.C51H30O.C42H32N2.2C12H11N.C12H10N.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;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;3*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h5-36H,1-4H3;1-30H;5-24H,1-4H3;2*2-9H,1H3;2-7,9H,1H3;/q;;;;;-1;
InChIKeyDWUPJEIPAOMKSI-UHFFFAOYSA-N
XLogP46.21
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002643.38
LogP ≤ 546.21
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 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-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
dysprosium(3+);1,10-phenanthroline;tris((1Z)-2,2,2-trifluoro-1-[(1R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139139942
7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile
CID 158184769
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
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
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;bis(1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline);4-[4-(trifluoromethyl)benzene-6-id-1-yl]-3H-isoquinolin-3-ide
CID 160404860
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
(11,11-Dimethylindeno[1,2-b]carbazol-5-yl)-quinoxalin-5-ylmethanone
CID 67472092
[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 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine?
The IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine (CID 160950922) is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine.
What is the SMILES notation for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine?
The canonical SMILES for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.Cc1cccnc1-c1[c-]cccc1.Cc1cccnc1-c1ccccc1.Cc1cccnc1-c1ccccc1.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Ir].
What is the InChIKey of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine?
The InChIKey is DWUPJEIPAOMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2.C51H30O.C42H32N2.2C12H11N.C12H10N.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;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;3*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;/h5-36H,1-4H3;1-30H;5-24H,1-4H3;2*2-9H,1H3;2-7,9H,1H3;/q;;;;;-1;.
What are the key properties of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine?
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine has a molecular weight of 2643.38 g/mol, XLogP of 46.21, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;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;iridium;bis(3-methyl-2-phenylpyridine);3-methyl-2-phenylpyridine is sourced from PubChem (CID 160950922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).