7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene

C20H18 — CID 145073335

IUPAC7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1C2C=C(c3ccccc3)C=C(c3ccccc3)C12
InChIInChI=1S/C20H18/c1-14-18-12-17(15-8-4-2-5-9-15)13-19(20(14)18)16-10-6-3-7-11-16/h2-14,18,20H,1H3
InChIKeyXLKQCABUPPWDBJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.05
Rot. Bonds2

About 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene

7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 145073335) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID145073335
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1C2C=C(c3ccccc3)C=C(c3ccccc3)C12
InChIInChI=1S/C20H18/c1-14-18-12-17(15-8-4-2-5-9-15)13-19(20(14)18)16-10-6-3-7-11-16/h2-14,18,20H,1H3
InChIKeyXLKQCABUPPWDBJ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,8S,9R,14R)-3,6-dimethoxy-10,12-diphenyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,10,12-pentaene
CID 15498942
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)-4-phenylbenzene
CID 132584149
(1S,8R,9S,14S)-15-(4-methylphenyl)sulfonyl-10,12-diphenyl-15-azatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,10,12-pentaene
CID 101017899
5-methyl-1,3-diphenylcyclohexa-1,3-diene
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1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
CID 102079091
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
6-bromo-1,5,6-trifluoro-3-phenylcyclohexa-1,3-diene
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4,5-dimethyl-3-phenylcyclopent-2-en-1-one
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(4-methylcyclobuten-1-yl)benzene
CID 173414108
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
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(2-phenylcycloprop-2-en-1-yl)benzene
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CID 130290357

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene (CID 145073335) is 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene is CC1C2C=C(c3ccccc3)C=C(c3ccccc3)C12.
What is the InChIKey of 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is XLKQCABUPPWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-14-18-12-17(15-8-4-2-5-9-15)13-19(20(14)18)16-10-6-3-7-11-16/h2-14,18,20H,1H3.
What are the key properties of 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene?
7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 258.36 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 145073335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).