10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene

C210H166 — CID 159395946

IUPAC10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc6cc7ccc8ccccc8c7cc6c5)c5ccccc45)c3)c2)cc1.CCc1ccc(-c2cc(-c3cccc(CC)c3)cc(-c3ccc(C)c(-c4c5ccc(C)cc5c(-c5ccc6ccc7ccccc7c6c5)c5ccc(C)cc45)c3C)c2)cc1.Cc1cc(C)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)cc(C)cc5C)c4)cc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cccc7cc8ccc9ccccc9c8cc67)c6ccccc56)c4)c3)c2)c(C)c1
InChIInChI=1S/C80H60.C70H56.C60H50/c1-49-35-51(3)77(52(4)36-49)61-25-16-22-57(39-61)64-43-65(58-23-17-26-62(40-58)78-53(5)37-50(2)38-54(78)6)45-66(44-64)67-42-63(55-19-8-7-9-20-55)46-68(47-67)79-70-28-12-14-30-72(70)80(73-31-15-13-29-71(73)79)74-32-18-24-59-41-60-34-33-56-21-10-11-27-69(56)75(60)48-76(59)74;1-69(2,3)59-32-28-46(29-33-59)52-38-53(47-30-34-60(35-31-47)70(4,5)6)40-55(39-52)56-41-54(45-16-8-7-9-17-45)42-58(43-56)68-64-22-14-12-20-62(64)67(63-21-13-15-23-65(63)68)51-27-25-49-36-50-26-24-48-18-10-11-19-61(48)66(50)44-57(49)37-51;1-7-41-19-21-43(22-20-41)48-33-49(46-14-11-12-42(8-2)32-46)35-50(34-48)51-29-18-39(5)58(40(51)6)60-54-28-17-37(3)30-56(54)59(53-27-16-38(4)31-57(53)60)47-26-25-45-24-23-44-13-9-10-15-52(44)55(45)36-47/h7-48H,1-6H3;7-44H,1-6H3;9-36H,7-8H2,1-6H3
InChIKeyLMSHUQISFJOLLU-UHFFFAOYSA-N
MW2689.64 g/mol
LogP59.68
Rot. Bonds21

About 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene

10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene (PubChem CID 159395946) has the molecular formula C210H166 and a molecular weight of 2689.64 g/mol. Its IUPAC name is 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene.

Molecular Properties

Compound Name10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene
PubChem CID159395946
Molecular FormulaC210H166
Molecular Weight2689.64 g/mol
Exact Mass2687.30
IUPAC Name10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc6cc7ccc8ccccc8c7cc6c5)c5ccccc45)c3)c2)cc1.CCc1ccc(-c2cc(-c3cccc(CC)c3)cc(-c3ccc(C)c(-c4c5ccc(C)cc5c(-c5ccc6ccc7ccccc7c6c5)c5ccc(C)cc45)c3C)c2)cc1.Cc1cc(C)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)cc(C)cc5C)c4)cc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cccc7cc8ccc9ccccc9c8cc67)c6ccccc56)c4)c3)c2)c(C)c1
InChIInChI=1S/C80H60.C70H56.C60H50/c1-49-35-51(3)77(52(4)36-49)61-25-16-22-57(39-61)64-43-65(58-23-17-26-62(40-58)78-53(5)37-50(2)38-54(78)6)45-66(44-64)67-42-63(55-19-8-7-9-20-55)46-68(47-67)79-70-28-12-14-30-72(70)80(73-31-15-13-29-71(73)79)74-32-18-24-59-41-60-34-33-56-21-10-11-27-69(56)75(60)48-76(59)74;1-69(2,3)59-32-28-46(29-33-59)52-38-53(47-30-34-60(35-31-47)70(4,5)6)40-55(39-52)56-41-54(45-16-8-7-9-17-45)42-58(43-56)68-64-22-14-12-20-62(64)67(63-21-13-15-23-65(63)68)51-27-25-49-36-50-26-24-48-18-10-11-19-61(48)66(50)44-57(49)37-51;1-7-41-19-21-43(22-20-41)48-33-49(46-14-11-12-42(8-2)32-46)35-50(34-48)51-29-18-39(5)58(40(51)6)60-54-28-17-37(3)30-56(54)59(53-27-16-38(4)31-57(53)60)47-26-25-45-24-23-44-13-9-10-15-52(44)55(45)36-47/h7-48H,1-6H3;7-44H,1-6H3;9-36H,7-8H2,1-6H3
InChIKeyLMSHUQISFJOLLU-UHFFFAOYSA-N
XLogP59.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002689.64
LogP ≤ 559.68
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 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene with MolForge

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Related Compounds

2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
CID 59856401
2,6-dimethyl-9-phenanthren-1-yl-10-(3-phenylphenyl)anthracene
CID 59718307
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene
CID 158490228
2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene
CID 159245455
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)benzo[a]anthracene;4-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)benzo[a]anthracene;4-[9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene;4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 162211913
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 157283651
2-tert-butyl-9-(3,5-diphenylphenyl)-10-naphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(2-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3,4-diphenylphenyl)-10-naphthalen-2-yl-2-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene;9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 161266075
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286

Frequently Asked Questions

What is the IUPAC name of 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene?
The IUPAC name of 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene (CID 159395946) is 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene.
What is the SMILES notation for 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene?
The canonical SMILES for 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4c5ccccc5c(-c5ccc6cc7ccc8ccccc8c7cc6c5)c5ccccc45)c3)c2)cc1.CCc1ccc(-c2cc(-c3cccc(CC)c3)cc(-c3ccc(C)c(-c4c5ccc(C)cc5c(-c5ccc6ccc7ccccc7c6c5)c5ccc(C)cc45)c3C)c2)cc1.Cc1cc(C)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)cc(C)cc5C)c4)cc(-c4cc(-c5ccccc5)cc(-c5c6ccccc6c(-c6cccc7cc8ccc9ccccc9c8cc67)c6ccccc56)c4)c3)c2)c(C)c1.
What is the InChIKey of 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene?
The InChIKey is LMSHUQISFJOLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60.C70H56.C60H50/c1-49-35-51(3)77(52(4)36-49)61-25-16-22-57(39-61)64-43-65(58-23-17-26-62(40-58)78-53(5)37-50(2)38-54(78)6)45-66(44-64)67-42-63(55-19-8-7-9-20-55)46-68(47-67)79-70-28-12-14-30-72(70)80(73-31-15-13-29-71(73)79)74-32-18-24-59-41-60-34-33-56-21-10-11-27-69(56)75(60)48-76(59)74;1-69(2,3)59-32-28-46(29-33-59)52-38-53(47-30-34-60(35-31-47)70(4,5)6)40-55(39-52)56-41-54(45-16-8-7-9-17-45)42-58(43-56)68-64-22-14-12-20-62(64)67(63-21-13-15-23-65(63)68)51-27-25-49-36-50-26-24-48-18-10-11-19-61(48)66(50)44-57(49)37-51;1-7-41-19-21-43(22-20-41)48-33-49(46-14-11-12-42(8-2)32-46)35-50(34-48)51-29-18-39(5)58(40(51)6)60-54-28-17-37(3)30-56(54)59(53-27-16-38(4)31-57(53)60)47-26-25-45-24-23-44-13-9-10-15-52(44)55(45)36-47/h7-48H,1-6H3;7-44H,1-6H3;9-36H,7-8H2,1-6H3.
What are the key properties of 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene?
10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene has a molecular weight of 2689.64 g/mol, XLogP of 59.68, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-[3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;11-[10-[3-[3,5-bis[3-(2,4,6-trimethylphenyl)phenyl]phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[a]anthracene;9-[3-[3-(3-ethylphenyl)-5-(4-ethylphenyl)phenyl]-2,6-dimethylphenyl]-2,6-dimethyl-10-phenanthren-3-ylanthracene is sourced from PubChem (CID 159395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).