bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]

C228H134N4O3 — CID 159820649

IUPACbis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]
SMILESO=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C77H44O2.C51H30O.C51H32.C49H28N4/c78-73(45-33-37-57-53-21-5-13-29-65(53)75(69(57)41-45)61-25-9-1-17-49(61)50-18-2-10-26-62(50)75)47-35-39-59-55-23-7-15-31-67(55)77(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)77)74(79)46-34-38-58-54-22-6-14-30-66(54)76(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)76;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;1-7-19-42-34(13-1)35-14-2-8-20-43(35)50(42)46-23-11-5-17-38(46)40-27-25-32(30-48(40)50)29-33-26-28-41-39-18-6-12-24-47(39)51(49(41)31-33)44-21-9-3-15-36(44)37-16-4-10-22-45(37)51;1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44/h1-44H;1-30H;1-28,30-31H,29H2;1-28H
InChIKeyNMENXPDURARKLT-UHFFFAOYSA-N
MW2977.60 g/mol
LogP52.31
Rot. Bonds10

About bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]

bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] (PubChem CID 159820649) has the molecular formula C228H134N4O3 and a molecular weight of 2977.60 g/mol. Its IUPAC name is bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]
PubChem CID159820649
Molecular FormulaC228H134N4O3
Molecular Weight2977.60 g/mol
Exact Mass2975.05
IUPAC Namebis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]
SMILESO=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C77H44O2.C51H30O.C51H32.C49H28N4/c78-73(45-33-37-57-53-21-5-13-29-65(53)75(69(57)41-45)61-25-9-1-17-49(61)50-18-2-10-26-62(50)75)47-35-39-59-55-23-7-15-31-67(55)77(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)77)74(79)46-34-38-58-54-22-6-14-30-66(54)76(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)76;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;1-7-19-42-34(13-1)35-14-2-8-20-43(35)50(42)46-23-11-5-17-38(46)40-27-25-32(30-48(40)50)29-33-26-28-41-39-18-6-12-24-47(39)51(49(41)31-33)44-21-9-3-15-36(44)37-16-4-10-22-45(37)51;1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44/h1-44H;1-30H;1-28,30-31H,29H2;1-28H
InChIKeyNMENXPDURARKLT-UHFFFAOYSA-N
XLogP52.31
TPSA102.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms235
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002977.60
LogP ≤ 552.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] 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-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate);dihydrate
CID 139139941
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
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
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
Bis(4,7-diphenyl-1,10-phenanthroline);1,10-phenanthroline-5,6-dione;ruthenium(2+)
CID 139247797
4-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]-N-quinolin-8-ylbutanamide
CID 168335453
2,2'-(9,9'-Spirobi[9H-fluorene]-2,2'-diyl)bis[1,10-phenanthroline]
CID 15425718
1,2-Diphenylethane-1,2-dione;4,7-diphenyl-1,10-phenanthroline;methane
CID 18628384
2-[2-[4-[9-[4-[3-(1,10-Phenanthrolin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-1,10-phenanthroline
CID 57574230
2-[3-[9-[3-(1,10-Phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574232

Frequently Asked Questions

What is the IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]?
The IUPAC name of bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] (CID 159820649) is bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] is O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]?
The InChIKey is NMENXPDURARKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H44O2.C51H30O.C51H32.C49H28N4/c78-73(45-33-37-57-53-21-5-13-29-65(53)75(69(57)41-45)61-25-9-1-17-49(61)50-18-2-10-26-62(50)75)47-35-39-59-55-23-7-15-31-67(55)77(71(59)43-47)68-32-16-8-24-56(68)60-40-36-48(44-72(60)77)74(79)46-34-38-58-54-22-6-14-30-66(54)76(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)76;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;1-7-19-42-34(13-1)35-14-2-8-20-43(35)50(42)46-23-11-5-17-38(46)40-27-25-32(30-48(40)50)29-33-26-28-41-39-18-6-12-24-47(39)51(49(41)31-33)44-21-9-3-15-36(44)37-16-4-10-22-45(37)51;1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44/h1-44H;1-30H;1-28,30-31H,29H2;1-28H.
What are the key properties of bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene]?
bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] has a molecular weight of 2977.60 g/mol, XLogP of 52.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,9'-spirobi[fluorene]-2-yl)methanone;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline;[2'-(9,9'-spirobi[fluorene]-2-carbonyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;2-(9,9'-spirobi[fluorene]-2-ylmethyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 159820649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).