2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene

C27H34 — CID 18702077

IUPAC2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCC1=CC(C)CC(C(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)=C1
InChIInChI=1S/C27H34/c1-16-9-17(2)15-24(14-16)27(25-20(5)10-18(3)11-21(25)6)26-22(7)12-19(4)13-23(26)8/h9-14,17,27H,15H2,1-8H3
InChIKeyNYHSVDZHHIZJEI-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.58
Rot. Bonds3

About 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene

2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 18702077) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID18702077
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
SMILESCC1=CC(C)CC(C(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)=C1
InChIInChI=1S/C27H34/c1-16-9-17(2)15-24(14-16)27(25-20(5)10-18(3)11-21(25)6)26-22(7)12-19(4)13-23(26)8/h9-14,17,27H,15H2,1-8H3
InChIKeyNYHSVDZHHIZJEI-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene (CID 18702077) is 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene is CC1=CC(C)CC(C(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)=C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is NYHSVDZHHIZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34/c1-16-9-17(2)15-24(14-16)27(25-20(5)10-18(3)11-21(25)6)26-22(7)12-19(4)13-23(26)8/h9-14,17,27H,15H2,1-8H3.
What are the key properties of 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene?
2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 358.57 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexa-1,3-dien-1-yl)-(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 18702077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).