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

C52H72 — CID 159344216

IUPAC1-[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
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)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C36H48.C16H24/c1-17-20(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;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h1-16H3;1-8H3
InChIKeyLGMZOCJYWPDFMY-UHFFFAOYSA-N
MW697.15 g/mol
LogP15.33
Rot. Bonds4

About 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

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 (PubChem CID 159344216) has the molecular formula C52H72 and a molecular weight of 697.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159344216
Molecular FormulaC52H72
Molecular Weight697.15 g/mol
Exact Mass696.56
IUPAC Name1-[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
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)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C36H48.C16H24/c1-17-20(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;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h1-16H3;1-8H3
InChIKeyLGMZOCJYWPDFMY-UHFFFAOYSA-N
XLogP15.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.15
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)=C(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 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?
The InChIKey is LGMZOCJYWPDFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48.C16H24/c1-17-20(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;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8/h1-16H3;1-8H3.
What are the key properties of 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?
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 has a molecular weight of 697.15 g/mol, XLogP of 15.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159344216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).