bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)

C120H168 — CID 159504771

IUPACbis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)
SMILESCC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/2C36H48.3C16H24/c2*1-17-20(4)26(10)33(27(11)21(17)5)32(16)36(34-28(12)22(6)18(2)23(7)29(34)13)35-30(14)24(8)19(3)25(9)31(35)15;3*1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h2*1-16H3;3*1-8H3
InChIKeyLZVPAWZDIPSVGQ-UHFFFAOYSA-N
MW1610.66 g/mol
LogP35.71
Rot. Bonds9

About bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)

bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) (PubChem CID 159504771) has the molecular formula C120H168 and a molecular weight of 1610.66 g/mol. Its IUPAC name is bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene).

Molecular Properties

Compound Namebis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)
PubChem CID159504771
Molecular FormulaC120H168
Molecular Weight1610.66 g/mol
Exact Mass1609.31
IUPAC Namebis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)
SMILESCC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/2C36H48.3C16H24/c2*1-17-20(4)26(10)33(27(11)21(17)5)32(16)36(34-28(12)22(6)18(2)23(7)29(34)13)35-30(14)24(8)19(3)25(9)31(35)15;3*1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h2*1-16H3;3*1-8H3
InChIKeyLZVPAWZDIPSVGQ-UHFFFAOYSA-N
XLogP35.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001610.66
LogP ≤ 535.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) with MolForge

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Related Compounds

1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene
CID 159344216
1,2,3,4,5,7,8,9-octamethyl-6-(3-methylbut-2-en-2-yl)carbazole
CID 23527720
3-(2,3,4,5,6-pentamethylphenyl)but-2-en-2-ylsilane
CID 150318412
1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene
CID 161054895
but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene
CID 159129815
1,2,3,4,5-pentamethyl-6-[(E)-4-(2,3,4,5,6-pentamethylphenyl)hex-3-en-3-yl]benzene
CID 6312640
1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
CID 162268770
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene
CID 20707147

Frequently Asked Questions

What is the IUPAC name of bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)?
The IUPAC name of bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) (CID 159504771) is bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene).
What is the SMILES notation for bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)?
The canonical SMILES for bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) is CC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(=C(c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)?
The InChIKey is LZVPAWZDIPSVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H48.3C16H24/c2*1-17-20(4)26(10)33(27(11)21(17)5)32(16)36(34-28(12)22(6)18(2)23(7)29(34)13)35-30(14)24(8)19(3)25(9)31(35)15;3*1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h2*1-16H3;3*1-8H3.
What are the key properties of bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene)?
bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) has a molecular weight of 1610.66 g/mol, XLogP of 35.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[1,1-bis(2,3,4,5,6-pentamethylphenyl)prop-1-en-2-yl]-2,3,4,5,6-pentamethylbenzene);tris(1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene) is sourced from PubChem (CID 159504771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).