4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C24H22 — CID 164898152

IUPAC4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCc1ccc(C2=Cc3ccccc3Cc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C24H22/c1-16-8-12-19(13-9-16)23-15-21-7-5-4-6-20(21)14-22-17(2)10-11-18(3)24(22)23/h4-13,15H,14H2,1-3H3
InChIKeyZKCLUUAJYUPWKO-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.10
Rot. Bonds1

About 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 164898152) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID164898152
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCc1ccc(C2=Cc3ccccc3Cc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C24H22/c1-16-8-12-19(13-9-16)23-15-21-7-5-4-6-20(21)14-22-17(2)10-11-18(3)24(22)23/h4-13,15H,14H2,1-3H3
InChIKeyZKCLUUAJYUPWKO-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161490529
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CID 143131255
CID 143131255
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CID 11041997
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
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CID 145302214

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 164898152) is 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is Cc1ccc(C2=Cc3ccccc3Cc3c(C)ccc(C)c32)cc1.
What is the InChIKey of 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is ZKCLUUAJYUPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-16-8-12-19(13-9-16)23-15-21-7-5-4-6-20(21)14-22-17(2)10-11-18(3)24(22)23/h4-13,15H,14H2,1-3H3.
What are the key properties of 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 310.44 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-9-(4-methylphenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 164898152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).