2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene

C27H24 — CID 164596184

IUPAC2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=C(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)C2CC12
InChIInChI=1S/C27H24/c1-18-3-6-20(7-4-18)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-5-19(2)26-17-27(25)26/h3-16,26-27H,17H2,1-2H3
InChIKeyHPIYGOUUMUKFLD-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.31
Rot. Bonds3

About 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene

2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 164596184) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene
PubChem CID164596184
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=C(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)C2CC12
InChIInChI=1S/C27H24/c1-18-3-6-20(7-4-18)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-5-19(2)26-17-27(25)26/h3-16,26-27H,17H2,1-2H3
InChIKeyHPIYGOUUMUKFLD-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene (CID 164596184) is 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene is CC1=CC=C(c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)C2CC12.
What is the InChIKey of 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is HPIYGOUUMUKFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-18-3-6-20(7-4-18)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-5-19(2)26-17-27(25)26/h3-16,26-27H,17H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene?
2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 348.49 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 164596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).