7-phenyl-7,12-dihydropleiadene

C24H18 — CID 615155

IUPAC7-phenyl-7,12-dihydropleiadene
SMILESc1ccc(C2c3ccccc3Cc3cccc4cccc2c34)cc1
InChIInChI=1S/C24H18/c1-2-8-18(9-3-1)24-21-14-5-4-10-19(21)16-20-13-6-11-17-12-7-15-22(24)23(17)20/h1-15,24H,16H2
InChIKeyBCDWJVIPRFSXQV-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.92
Rot. Bonds1

About 7-phenyl-7,12-dihydropleiadene

7-phenyl-7,12-dihydropleiadene (PubChem CID 615155) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-phenyl-7,12-dihydropleiadene.

Molecular Properties

Compound Name7-phenyl-7,12-dihydropleiadene
PubChem CID615155
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name7-phenyl-7,12-dihydropleiadene
SMILESc1ccc(C2c3ccccc3Cc3cccc4cccc2c34)cc1
InChIInChI=1S/C24H18/c1-2-8-18(9-3-1)24-21-14-5-4-10-19(21)16-20-13-6-11-17-12-7-15-22(24)23(17)20/h1-15,24H,16H2
InChIKeyBCDWJVIPRFSXQV-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7,12-dihydropleiadene?
The IUPAC name of 7-phenyl-7,12-dihydropleiadene (CID 615155) is 7-phenyl-7,12-dihydropleiadene.
What is the SMILES notation for 7-phenyl-7,12-dihydropleiadene?
The canonical SMILES for 7-phenyl-7,12-dihydropleiadene is c1ccc(C2c3ccccc3Cc3cccc4cccc2c34)cc1.
What is the InChIKey of 7-phenyl-7,12-dihydropleiadene?
The InChIKey is BCDWJVIPRFSXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-2-8-18(9-3-1)24-21-14-5-4-10-19(21)16-20-13-6-11-17-12-7-15-22(24)23(17)20/h1-15,24H,16H2.
What are the key properties of 7-phenyl-7,12-dihydropleiadene?
7-phenyl-7,12-dihydropleiadene has a molecular weight of 306.41 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7,12-dihydropleiadene is sourced from PubChem (CID 615155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).