1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene

C154H174 — CID 161343759

IUPAC1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene
SMILESCCCCC(CC)Cc1ccc2c(C)c3ccccc3c(C)c2c1.CCCCc1ccc2c(C)c3cc(CCCC)ccc3c(C)c2c1.Cc1c2ccc(C(C)(C)C)cc2c(C)c2ccc(C(C)(C)C)cc12.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c2cc(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2c1.Cc1ccc2c(-c3ccccc3)c(C)ccc2c1
InChIInChI=1S/C64H68.3C24H30.C18H16/c1-41-31-57(51-37-47(43-15-23-53(24-16-43)61(3,4)5)35-48(38-51)44-17-25-54(26-18-44)62(6,7)8)60-34-42(2)32-58(59(60)33-41)52-39-49(45-19-27-55(28-20-45)63(9,10)11)36-50(40-52)46-21-29-56(30-22-46)64(12,13)14;1-15-19-11-9-18(24(6,7)8)14-22(19)16(2)20-12-10-17(13-21(15)20)23(3,4)5;1-5-7-10-19(6-2)15-20-13-14-23-17(3)21-11-8-9-12-22(21)18(4)24(23)16-20;1-5-7-9-19-11-13-21-18(4)24-16-20(10-8-6-2)12-14-22(24)17(3)23(21)15-19;1-13-8-11-17-16(12-13)10-9-14(2)18(17)15-6-4-3-5-7-15/h15-40H,1-14H3;9-14H,1-8H3;8-9,11-14,16,19H,5-7,10,15H2,1-4H3;11-16H,5-10H2,1-4H3;3-12H,1-2H3
InChIKeyVNAHQUSDUYJFMU-UHFFFAOYSA-N
MW2025.09 g/mol
LogP45.64
Rot. Bonds19

About 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene

1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene (PubChem CID 161343759) has the molecular formula C154H174 and a molecular weight of 2025.09 g/mol. Its IUPAC name is 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene.

Molecular Properties

Compound Name1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene
PubChem CID161343759
Molecular FormulaC154H174
Molecular Weight2025.09 g/mol
Exact Mass2023.36
IUPAC Name1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene
SMILESCCCCC(CC)Cc1ccc2c(C)c3ccccc3c(C)c2c1.CCCCc1ccc2c(C)c3cc(CCCC)ccc3c(C)c2c1.Cc1c2ccc(C(C)(C)C)cc2c(C)c2ccc(C(C)(C)C)cc12.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c2cc(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2c1.Cc1ccc2c(-c3ccccc3)c(C)ccc2c1
InChIInChI=1S/C64H68.3C24H30.C18H16/c1-41-31-57(51-37-47(43-15-23-53(24-16-43)61(3,4)5)35-48(38-51)44-17-25-54(26-18-44)62(6,7)8)60-34-42(2)32-58(59(60)33-41)52-39-49(45-19-27-55(28-20-45)63(9,10)11)36-50(40-52)46-21-29-56(30-22-46)64(12,13)14;1-15-19-11-9-18(24(6,7)8)14-22(19)16(2)20-12-10-17(13-21(15)20)23(3,4)5;1-5-7-10-19(6-2)15-20-13-14-23-17(3)21-11-8-9-12-22(21)18(4)24(23)16-20;1-5-7-9-19-11-13-21-18(4)24-16-20(10-8-6-2)12-14-22(24)17(3)23(21)15-19;1-13-8-11-17-16(12-13)10-9-14(2)18(17)15-6-4-3-5-7-15/h15-40H,1-14H3;9-14H,1-8H3;8-9,11-14,16,19H,5-7,10,15H2,1-4H3;11-16H,5-10H2,1-4H3;3-12H,1-2H3
InChIKeyVNAHQUSDUYJFMU-UHFFFAOYSA-N
XLogP45.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002025.09
LogP ≤ 545.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene with MolForge

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Related Compounds

1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 157295897
1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene;1,3,5,7-tetramethylnaphthalene;1,3,7-trimethylnaphthalene
CID 162154855
3-[4,8-bis(2-ethylhexyl)-7-methylnaphthalen-2-yl]-1,5-bis(3,5-ditert-butylphenyl)-7-methylnaphthalene
CID 123153198
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
CID 143125709
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
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;2,6-dimethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)anthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)-10-phenylanthracene
CID 158093460
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159
5-bromo-11-(11-bromo-8-tert-butylchrysen-5-yl)-2-tert-butylchrysene;5-bromo-11-(11-bromochrysen-5-yl)chrysene;6,20-dibromo-13-[4-(4-decylhexadecyl)phenyl]-2-phenylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene;6,20-dibromo-2-[4-(3,5-dimethylphenyl)phenyl]pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaene
CID 157218177
1,3,6,8-tetrakis[4-[4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pyrene
CID 102054332
5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 163855080
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
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

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene?
The IUPAC name of 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene (CID 161343759) is 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene.
What is the SMILES notation for 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene?
The canonical SMILES for 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene is CCCCC(CC)Cc1ccc2c(C)c3ccccc3c(C)c2c1.CCCCc1ccc2c(C)c3cc(CCCC)ccc3c(C)c2c1.Cc1c2ccc(C(C)(C)C)cc2c(C)c2ccc(C(C)(C)C)cc12.Cc1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c2cc(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2c1.Cc1ccc2c(-c3ccccc3)c(C)ccc2c1.
What is the InChIKey of 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene?
The InChIKey is VNAHQUSDUYJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68.3C24H30.C18H16/c1-41-31-57(51-37-47(43-15-23-53(24-16-43)61(3,4)5)35-48(38-51)44-17-25-54(26-18-44)62(6,7)8)60-34-42(2)32-58(59(60)33-41)52-39-49(45-19-27-55(28-20-45)63(9,10)11)36-50(40-52)46-21-29-56(30-22-46)64(12,13)14;1-15-19-11-9-18(24(6,7)8)14-22(19)16(2)20-12-10-17(13-21(15)20)23(3,4)5;1-5-7-10-19(6-2)15-20-13-14-23-17(3)21-11-8-9-12-22(21)18(4)24(23)16-20;1-5-7-9-19-11-13-21-18(4)24-16-20(10-8-6-2)12-14-22(24)17(3)23(21)15-19;1-13-8-11-17-16(12-13)10-9-14(2)18(17)15-6-4-3-5-7-15/h15-40H,1-14H3;9-14H,1-8H3;8-9,11-14,16,19H,5-7,10,15H2,1-4H3;11-16H,5-10H2,1-4H3;3-12H,1-2H3.
What are the key properties of 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene?
1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene has a molecular weight of 2025.09 g/mol, XLogP of 45.64, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;2,6-dibutyl-9,10-dimethylanthracene;2,6-ditert-butyl-9,10-dimethylanthracene;2,6-dimethyl-1-phenylnaphthalene;2-(2-ethylhexyl)-9,10-dimethylanthracene is sourced from PubChem (CID 161343759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).