About 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene (PubChem CID 159785765) has the molecular formula C248H146
and a molecular weight of 3125.90 g/mol. Its IUPAC name is 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene.
Molecular Properties
| Compound Name | 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene |
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| PubChem CID | 159785765 |
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| Molecular Formula | C248H146 |
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| Molecular Weight | 3125.90 g/mol |
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| Exact Mass | 3123.14 |
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| IUPAC Name | 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene |
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| SMILES | c1cc(-c2cccc3cc4ccc5c(-c6cccc7cc8ccc9c(-c%10cccc%11cc%12ccc%13c(-c%14cccc%15ccccc%14%15)cccc%13c%12cc%10%11)cccc9c8cc67)cccc5c4cc23)c2cc3c(ccc4c(-c5cccc6ccccc56)cccc43)cc2c1.c1cc(-c2cccc3cc4ccc5c(-c6cccc7cc8ccc9c(-c%10cccc%11cc%12ccc%13ccccc%13c%12cc%10%11)cccc9c8cc67)cccc5c4cc23)c2cc3c(ccc4ccccc43)cc2c1.c1ccc(-c2cccc3c2ccc2cc4cccc(-c5cccc6cc7ccc8c(-c9cccc%10cc%11ccc%12c(-c%13cccc%14cc%15ccc%16c(-c%17ccccc%17)cccc%16c%15cc%13%14)cccc%12c%11cc9%10)cccc8c7cc56)c4cc23)cc1 |
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| InChI | InChI=1S/C92H54.C84H50.C72H42/c1-3-23-65-55(15-1)17-5-25-67(65)69-31-11-35-77-81(69)43-39-61-47-57-19-7-27-73(85(57)51-89(61)77)71-33-13-37-79-83(71)45-41-63-48-58-20-8-28-74(86(58)52-90(63)79)72-34-14-38-80-84(72)46-42-64-50-60-22-10-30-76(88(60)54-92(64)80)75-29-9-21-59-49-62-40-44-82-70(32-12-36-78(82)91(62)53-87(59)75)68-26-6-18-56-16-2-4-24-66(56)68;1-3-15-51(16-4-1)61-23-11-31-69-73(61)39-35-57-43-53-19-7-25-65(77(53)47-81(57)69)63-29-13-33-71-75(63)41-37-59-44-54-20-8-26-66(78(54)48-83(59)71)64-30-14-34-72-76(64)42-38-60-46-56-22-10-28-68(80(56)50-84(60)72)67-27-9-21-55-45-58-36-40-74-62(52-17-5-2-6-18-52)24-12-32-70(74)82(58)49-79(55)67;1-3-17-53-43(11-1)27-29-49-35-45-13-5-19-57(67(45)39-65(49)53)55-23-9-25-61-63(55)33-31-51-37-47-14-6-20-58(69(47)41-71(51)61)56-24-10-26-62-64(56)34-32-52-38-48-16-8-22-60(70(48)42-72(52)62)59-21-7-15-46-36-50-30-28-44-12-2-4-18-54(44)66(50)40-68(46)59/h1-54H;1-50H;1-42H |
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| InChIKey | NHXSUIFTQVYTCX-UHFFFAOYSA-N |
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| XLogP | 70.55 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 248 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 3125.90 |
| LogP ≤ 5 | 70.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Analyze 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene?
The IUPAC name of 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene (CID 159785765) is 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene.
What is the SMILES notation for 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene?
The canonical SMILES for 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene is c1cc(-c2cccc3cc4ccc5c(-c6cccc7cc8ccc9c(-c%10cccc%11cc%12ccc%13c(-c%14cccc%15ccccc%14%15)cccc%13c%12cc%10%11)cccc9c8cc67)cccc5c4cc23)c2cc3c(ccc4c(-c5cccc6ccccc56)cccc43)cc2c1.c1cc(-c2cccc3cc4ccc5c(-c6cccc7cc8ccc9c(-c%10cccc%11cc%12ccc%13ccccc%13c%12cc%10%11)cccc9c8cc67)cccc5c4cc23)c2cc3c(ccc4ccccc43)cc2c1.c1ccc(-c2cccc3c2ccc2cc4cccc(-c5cccc6cc7ccc8c(-c9cccc%10cc%11ccc%12c(-c%13cccc%14cc%15ccc%16c(-c%17ccccc%17)cccc%16c%15cc%13%14)cccc%12c%11cc9%10)cccc8c7cc56)c4cc23)cc1.
What is the InChIKey of 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene?
The InChIKey is NHXSUIFTQVYTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54.C84H50.C72H42/c1-3-23-65-55(15-1)17-5-25-67(65)69-31-11-35-77-81(69)43-39-61-47-57-19-7-27-73(85(57)51-89(61)77)71-33-13-37-79-83(71)45-41-63-48-58-20-8-28-74(86(58)52-90(63)79)72-34-14-38-80-84(72)46-42-64-50-60-22-10-30-76(88(60)54-92(64)80)75-29-9-21-59-49-62-40-44-82-70(32-12-36-78(82)91(62)53-87(59)75)68-26-6-18-56-16-2-4-24-66(56)68;1-3-15-51(16-4-1)61-23-11-31-69-73(61)39-35-57-43-53-19-7-25-65(77(53)47-81(57)69)63-29-13-33-71-75(63)41-37-59-44-54-20-8-26-66(78(54)48-83(59)71)64-30-14-34-72-76(64)42-38-60-46-56-22-10-28-68(80(56)50-84(60)72)67-27-9-21-55-45-58-36-40-74-62(52-17-5-2-6-18-52)24-12-32-70(74)82(58)49-79(55)67;1-3-17-53-43(11-1)27-29-49-35-45-13-5-19-57(67(45)39-65(49)53)55-23-9-25-61-63(55)33-31-51-37-47-14-6-20-58(69(47)41-71(51)61)56-24-10-26-62-64(56)34-32-52-38-48-16-8-22-60(70(48)42-72(52)62)59-21-7-15-46-36-50-30-28-44-12-2-4-18-54(44)66(50)40-68(46)59/h1-54H;1-50H;1-42H.
What are the key properties of 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene?
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene has a molecular weight of 3125.90 g/mol, XLogP of 70.55, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene is sourced from PubChem (CID 159785765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).