2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene

C259H218 — CID 158821739

IUPAC2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene
SMILESCCc1ccc2c(c1)C(C)(C)c1cccc(-c3cc4cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(CC)cc7C8(C)C)cc7cc(-c8cccc9c8-c8ccc(CC)cc8C9(C)C)cc(c(c3)c45)c76)c1-2.Cc1cc(-c2cc3cc(-c4cc(C)cc5c4-c4ccccc4C5(C)C)cc4c5cc(-c6cc(C)cc7c6-c6ccccc6C7(C)C)cc6cc(-c7cc(C)cc8c7-c7ccccc7C8(C)C)cc(c(c2)c34)c65)c2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3cc4cc(-c5cc(C)cc6c5-c5ccc(C)cc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(C)cc7C8(C)C)cc7cc(-c8cc(C)cc9c8-c8ccc(C)cc8C9(C)C)cc(c(c3)c45)c76)c1-2
InChIInChI=1S/C88H76.C87H74.C84H68/c1-45-17-21-59-71(29-45)85(9,10)75-33-49(5)25-63(81(59)75)53-37-57-38-54(64-26-50(6)34-76-82(64)60-22-18-46(2)30-72(60)86(76,11)12)43-69-70-44-56(66-28-52(8)36-78-84(66)62-24-20-48(4)32-74(62)88(78,15)16)40-58-39-55(42-68(80(58)70)67(41-53)79(57)69)65-27-51(7)35-77-83(65)61-23-19-47(3)31-73(61)87(77,13)14;1-13-49-29-32-62-74(37-49)85(7,8)72-27-19-23-59(81(62)72)53-41-56-40-52(58-22-18-26-71-80(58)61-21-16-17-25-70(61)84(71,5)6)44-68-69-47-55(65-35-48(4)36-77-83(65)64-34-31-51(15-3)39-76(64)87(77,11)12)43-57-42-54(46-67(79(57)69)66(45-53)78(56)68)60-24-20-28-73-82(60)63-33-30-50(14-2)38-75(63)86(73,9)10;1-45-29-59(77-55-21-13-17-25-67(55)81(5,6)71(77)33-45)49-37-53-38-50(60-30-46(2)34-72-78(60)56-22-14-18-26-68(56)82(72,7)8)43-65-66-44-52(62-32-48(4)36-74-80(62)58-24-16-20-28-70(58)84(74,11)12)40-54-39-51(42-64(76(54)66)63(41-49)75(53)65)61-31-47(3)35-73-79(61)57-23-15-19-27-69(57)83(73,9)10/h17-44H,1-16H3;16-47H,13-15H2,1-12H3;13-44H,1-12H3
InChIKeyIVYNZMYQZRBFQN-UHFFFAOYSA-N
MW3330.59 g/mol
LogP70.59
Rot. Bonds15

About 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene

2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene (PubChem CID 158821739) has the molecular formula C259H218 and a molecular weight of 3330.59 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene
PubChem CID158821739
Molecular FormulaC259H218
Molecular Weight3330.59 g/mol
Exact Mass3327.71
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene
SMILESCCc1ccc2c(c1)C(C)(C)c1cccc(-c3cc4cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(CC)cc7C8(C)C)cc7cc(-c8cccc9c8-c8ccc(CC)cc8C9(C)C)cc(c(c3)c45)c76)c1-2.Cc1cc(-c2cc3cc(-c4cc(C)cc5c4-c4ccccc4C5(C)C)cc4c5cc(-c6cc(C)cc7c6-c6ccccc6C7(C)C)cc6cc(-c7cc(C)cc8c7-c7ccccc7C8(C)C)cc(c(c2)c34)c65)c2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3cc4cc(-c5cc(C)cc6c5-c5ccc(C)cc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(C)cc7C8(C)C)cc7cc(-c8cc(C)cc9c8-c8ccc(C)cc8C9(C)C)cc(c(c3)c45)c76)c1-2
InChIInChI=1S/C88H76.C87H74.C84H68/c1-45-17-21-59-71(29-45)85(9,10)75-33-49(5)25-63(81(59)75)53-37-57-38-54(64-26-50(6)34-76-82(64)60-22-18-46(2)30-72(60)86(76,11)12)43-69-70-44-56(66-28-52(8)36-78-84(66)62-24-20-48(4)32-74(62)88(78,15)16)40-58-39-55(42-68(80(58)70)67(41-53)79(57)69)65-27-51(7)35-77-83(65)61-23-19-47(3)31-73(61)87(77,13)14;1-13-49-29-32-62-74(37-49)85(7,8)72-27-19-23-59(81(62)72)53-41-56-40-52(58-22-18-26-71-80(58)61-21-16-17-25-70(61)84(71,5)6)44-68-69-47-55(65-35-48(4)36-77-83(65)64-34-31-51(15-3)39-76(64)87(77,11)12)43-57-42-54(46-67(79(57)69)66(45-53)78(56)68)60-24-20-28-73-82(60)63-33-30-50(14-2)38-75(63)86(73,9)10;1-45-29-59(77-55-21-13-17-25-67(55)81(5,6)71(77)33-45)49-37-53-38-50(60-30-46(2)34-72-78(60)56-22-14-18-26-68(56)82(72,7)8)43-65-66-44-52(62-32-48(4)36-74-80(62)58-24-16-20-28-70(58)84(74,11)12)40-54-39-51(42-64(76(54)66)63(41-49)75(53)65)61-31-47(3)35-73-79(61)57-23-15-19-27-69(57)83(73,9)10/h17-44H,1-16H3;16-47H,13-15H2,1-12H3;13-44H,1-12H3
InChIKeyIVYNZMYQZRBFQN-UHFFFAOYSA-N
XLogP70.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms259
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003330.59
LogP ≤ 570.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene with MolForge

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Related Compounds

2-ethyl-7,9,9-trimethylfluorene
CID 59167125
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
12-(2-tert-butyl-7-ethyl-9,9-dimethylfluoren-4-yl)-7-(2,6-dimethylphenyl)benzo[k]fluoranthene
CID 143551470
4-(7,7-dimethylbenzo[c]fluoren-5-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411777
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195621
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
CID 59194702

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene (CID 158821739) is 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene is CCc1ccc2c(c1)C(C)(C)c1cccc(-c3cc4cc(-c5cccc6c5-c5ccccc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(CC)cc7C8(C)C)cc7cc(-c8cccc9c8-c8ccc(CC)cc8C9(C)C)cc(c(c3)c45)c76)c1-2.Cc1cc(-c2cc3cc(-c4cc(C)cc5c4-c4ccccc4C5(C)C)cc4c5cc(-c6cc(C)cc7c6-c6ccccc6C7(C)C)cc6cc(-c7cc(C)cc8c7-c7ccccc7C8(C)C)cc(c(c2)c34)c65)c2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)cc(-c3cc4cc(-c5cc(C)cc6c5-c5ccc(C)cc5C6(C)C)cc5c6cc(-c7cc(C)cc8c7-c7ccc(C)cc7C8(C)C)cc7cc(-c8cc(C)cc9c8-c8ccc(C)cc8C9(C)C)cc(c(c3)c45)c76)c1-2.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene?
The InChIKey is IVYNZMYQZRBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H76.C87H74.C84H68/c1-45-17-21-59-71(29-45)85(9,10)75-33-49(5)25-63(81(59)75)53-37-57-38-54(64-26-50(6)34-76-82(64)60-22-18-46(2)30-72(60)86(76,11)12)43-69-70-44-56(66-28-52(8)36-78-84(66)62-24-20-48(4)32-74(62)88(78,15)16)40-58-39-55(42-68(80(58)70)67(41-53)79(57)69)65-27-51(7)35-77-83(65)61-23-19-47(3)31-73(61)87(77,13)14;1-13-49-29-32-62-74(37-49)85(7,8)72-27-19-23-59(81(62)72)53-41-56-40-52(58-22-18-26-71-80(58)61-21-16-17-25-70(61)84(71,5)6)44-68-69-47-55(65-35-48(4)36-77-83(65)64-34-31-51(15-3)39-76(64)87(77,11)12)43-57-42-54(46-67(79(57)69)66(45-53)78(56)68)60-24-20-28-73-82(60)63-33-30-50(14-2)38-75(63)86(73,9)10;1-45-29-59(77-55-21-13-17-25-67(55)81(5,6)71(77)33-45)49-37-53-38-50(60-30-46(2)34-72-78(60)56-22-14-18-26-68(56)82(72,7)8)43-65-66-44-52(62-32-48(4)36-74-80(62)58-24-16-20-28-70(58)84(74,11)12)40-54-39-51(42-64(76(54)66)63(41-49)75(53)65)61-31-47(3)35-73-79(61)57-23-15-19-27-69(57)83(73,9)10/h17-44H,1-16H3;16-47H,13-15H2,1-12H3;13-44H,1-12H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene?
2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene has a molecular weight of 3330.59 g/mol, XLogP of 70.59, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-5,8-bis(7-ethyl-9,9-dimethylfluoren-4-yl)-11-(7-ethyl-2,9,9-trimethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,7,9,9-tetramethylfluoren-4-yl)perylene;2,5,8,11-tetrakis(2,9,9-trimethylfluoren-4-yl)perylene is sourced from PubChem (CID 158821739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).