bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone

C183H144O3 — CID 158642524

IUPACbis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1ccc(C)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(C(=O)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc42)c2cc(-c4cc(C)ccc4C)ccc2-3)c1.O=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C67H46O.C61H42O.C55H56O/c1-39-21-23-41(3)55(33-39)43-25-29-53-54-30-26-44(56-34-40(2)22-24-42(56)4)36-62(54)67(61(53)35-43)60-20-12-8-16-50(60)52-32-28-46(38-64(52)67)65(68)45-27-31-51-49-15-7-11-19-59(49)66(63(51)37-45)57-17-9-5-13-47(57)48-14-6-10-18-58(48)66;62-61(59-39-55(51-29-13-25-47(33-51)43-17-5-1-6-18-43)37-56(40-59)52-30-14-26-48(34-52)44-19-7-2-8-20-44)60-41-57(53-31-15-27-49(35-53)45-21-9-3-10-22-45)38-58(42-60)54-32-16-28-50(36-54)46-23-11-4-12-24-46;1-3-5-7-9-11-21-35-54(36-22-12-10-8-6-4-2)47-27-17-13-23-41(47)45-33-31-39(37-51(45)54)53(56)40-32-34-46-44-26-16-20-30-50(44)55(52(46)38-40)48-28-18-14-24-42(48)43-25-15-19-29-49(43)55/h5-38H,1-4H3;1-42H;13-20,23-34,37-38H,3-12,21-22,35-36H2,1-2H3
InChIKeyIAOJKJVERFLEED-UHFFFAOYSA-N
MW2391.16 g/mol
LogP47.45
Rot. Bonds30

About bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone

bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 158642524) has the molecular formula C183H144O3 and a molecular weight of 2391.16 g/mol. Its IUPAC name is bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

Compound Namebis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone
PubChem CID158642524
Molecular FormulaC183H144O3
Molecular Weight2391.16 g/mol
Exact Mass2389.11
IUPAC Namebis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1ccc(C)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(C(=O)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc42)c2cc(-c4cc(C)ccc4C)ccc2-3)c1.O=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C67H46O.C61H42O.C55H56O/c1-39-21-23-41(3)55(33-39)43-25-29-53-54-30-26-44(56-34-40(2)22-24-42(56)4)36-62(54)67(61(53)35-43)60-20-12-8-16-50(60)52-32-28-46(38-64(52)67)65(68)45-27-31-51-49-15-7-11-19-59(49)66(63(51)37-45)57-17-9-5-13-47(57)48-14-6-10-18-58(48)66;62-61(59-39-55(51-29-13-25-47(33-51)43-17-5-1-6-18-43)37-56(40-59)52-30-14-26-48(34-52)44-19-7-2-8-20-44)60-41-57(53-31-15-27-49(35-53)45-21-9-3-10-22-45)38-58(42-60)54-32-16-28-50(36-54)46-23-11-4-12-24-46;1-3-5-7-9-11-21-35-54(36-22-12-10-8-6-4-2)47-27-17-13-23-41(47)45-33-31-39(37-51(45)54)53(56)40-32-34-46-44-26-16-20-30-50(44)55(52(46)38-40)48-28-18-14-24-42(48)43-25-15-19-29-49(43)55/h5-38H,1-4H3;1-42H;13-20,23-34,37-38H,3-12,21-22,35-36H2,1-2H3
InChIKeyIAOJKJVERFLEED-UHFFFAOYSA-N
XLogP47.45
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002391.16
LogP ≤ 547.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone with MolForge

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Related Compounds

[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[3,5-bis(3,5-diphenylphenyl)phenyl]-(3-phenylphenyl)methanone;[9,9-bis[4-(N-phenylanilino)phenyl]fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-[7'-(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dioctylfluoren-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone;[3-[4-[12,12-dioctyl-6-[4-[3-(3-phenylbenzoyl)phenyl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]phenyl]-(3-phenylphenyl)methanone
CID 158706304
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
CID 140686916
2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
CID 123179405
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-(5-methylnaphthalen-1-yl)-9,9-dioctylfluoren-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 118345499
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
carbanide;2-(9,9-dihexylfluoren-2-yl)-4-methylphenol;titanium(3+)
CID 59270117
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[9,9-dimethyl-7-(4-methylnaphthalen-1-yl)fluoren-2-yl]-7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluorene
CID 169036311

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 158642524) is bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1ccc(C)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(C(=O)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc42)c2cc(-c4cc(C)ccc4C)ccc2-3)c1.O=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is IAOJKJVERFLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46O.C61H42O.C55H56O/c1-39-21-23-41(3)55(33-39)43-25-29-53-54-30-26-44(56-34-40(2)22-24-42(56)4)36-62(54)67(61(53)35-43)60-20-12-8-16-50(60)52-32-28-46(38-64(52)67)65(68)45-27-31-51-49-15-7-11-19-59(49)66(63(51)37-45)57-17-9-5-13-47(57)48-14-6-10-18-58(48)66;62-61(59-39-55(51-29-13-25-47(33-51)43-17-5-1-6-18-43)37-56(40-59)52-30-14-26-48(34-52)44-19-7-2-8-20-44)60-41-57(53-31-15-27-49(35-53)45-21-9-3-10-22-45)38-58(42-60)54-32-16-28-50(36-54)46-23-11-4-12-24-46;1-3-5-7-9-11-21-35-54(36-22-12-10-8-6-4-2)47-27-17-13-23-41(47)45-33-31-39(37-51(45)54)53(56)40-32-34-46-44-26-16-20-30-50(44)55(52(46)38-40)48-28-18-14-24-42(48)43-25-15-19-29-49(43)55/h5-38H,1-4H3;1-42H;13-20,23-34,37-38H,3-12,21-22,35-36H2,1-2H3.
What are the key properties of bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 2391.16 g/mol, XLogP of 47.45, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(3-phenylphenyl)phenyl]methanone;[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 158642524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).