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

C122H140 — CID 157295897

IUPAC1,5-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
SMILESCCCCC(CC)Cc1cc(C)cc2ccc(C)cc12.CCCCc1cc(C)cc2c(CCCC)cc(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/C64H68.2C20H28.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;1-5-7-8-17(6-2)14-19-12-16(4)11-18-10-9-15(3)13-20(18)19;1-5-7-9-17-11-15(3)14-20-18(10-8-6-2)12-16(4)13-19(17)20;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;9-13,17H,5-8,14H2,1-4H3;11-14H,5-10H2,1-4H3;3-12H,1-2H3
InChIKeyBBINSGNWWBOFQJ-UHFFFAOYSA-N
MW1606.46 g/mol
LogP36.13
Rot. Bonds19

About 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

1,5-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 (PubChem CID 157295897) has the molecular formula C122H140 and a molecular weight of 1606.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID157295897
Molecular FormulaC122H140
Molecular Weight1606.46 g/mol
Exact Mass1605.10
IUPAC Name1,5-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
SMILESCCCCC(CC)Cc1cc(C)cc2ccc(C)cc12.CCCCc1cc(C)cc2c(CCCC)cc(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/C64H68.2C20H28.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;1-5-7-8-17(6-2)14-19-12-16(4)11-18-10-9-15(3)13-20(18)19;1-5-7-9-17-11-15(3)14-20-18(10-8-6-2)12-16(4)13-19(17)20;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;9-13,17H,5-8,14H2,1-4H3;11-14H,5-10H2,1-4H3;3-12H,1-2H3
InChIKeyBBINSGNWWBOFQJ-UHFFFAOYSA-N
XLogP36.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001606.46
LogP ≤ 536.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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;1,3,5,7-tetramethylnaphthalene;1,3,7-trimethylnaphthalene
CID 162154855
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
3-[4,8-bis(2-ethylhexyl)-7-methylnaphthalen-2-yl]-1,5-bis(3,5-ditert-butylphenyl)-7-methylnaphthalene
CID 123153198
6-[4,8-bis(2-ethylhexyl)-6-methylnaphthalen-2-yl]-12-methylchrysene
CID 123741523
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
CID 143125709
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
6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine
CID 130398300
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-(2-ethylhexyl)-2-methylbenzene
CID 54294773
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
1,4-bis(2-ethylhexyl)-2,5-dimethylbenzene;1,4-dicyclohexyl-2,5-dimethylbenzene;1,4-dihexyl-2,5-dimethylbenzene;1,4-dimethyl-2,5-diphenylbenzene;2-hexyl-1,4-dimethylbenzene;1-hexyl-2,4,5-trimethylbenzene
CID 158425439

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC)Cc1cc(C)cc2ccc(C)cc12.CCCCc1cc(C)cc2c(CCCC)cc(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;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene?
The InChIKey is BBINSGNWWBOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68.2C20H28.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;1-5-7-8-17(6-2)14-19-12-16(4)11-18-10-9-15(3)13-20(18)19;1-5-7-9-17-11-15(3)14-20-18(10-8-6-2)12-16(4)13-19(17)20;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;9-13,17H,5-8,14H2,1-4H3;11-14H,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;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene?
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 has a molecular weight of 1606.46 g/mol, XLogP of 36.13, 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;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene is sourced from PubChem (CID 157295897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).