5-phenyl-8,9-dihydro-7H-benzo[7]annulene

C17H16 — CID 10857019

IUPAC5-phenyl-8,9-dihydro-7H-benzo[7]annulene
SMILESC1=C(c2ccccc2)c2ccccc2CCC1
InChIInChI=1S/C17H16/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11-13H,4,6,10H2
InChIKeyJXEOULHHABOQBV-UHFFFAOYSA-N
MW220.32 g/mol
LogP4.45
Rot. Bonds1

About 5-phenyl-8,9-dihydro-7H-benzo[7]annulene

5-phenyl-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 10857019) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-phenyl-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name5-phenyl-8,9-dihydro-7H-benzo[7]annulene
PubChem CID10857019
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Name5-phenyl-8,9-dihydro-7H-benzo[7]annulene
SMILESC1=C(c2ccccc2)c2ccccc2CCC1
InChIInChI=1S/C17H16/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11-13H,4,6,10H2
InChIKeyJXEOULHHABOQBV-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 5-phenyl-8,9-dihydro-7H-benzo[7]annulene (CID 10857019) is 5-phenyl-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 5-phenyl-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 5-phenyl-8,9-dihydro-7H-benzo[7]annulene is C1=C(c2ccccc2)c2ccccc2CCC1.
What is the InChIKey of 5-phenyl-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is JXEOULHHABOQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11-13H,4,6,10H2.
What are the key properties of 5-phenyl-8,9-dihydro-7H-benzo[7]annulene?
5-phenyl-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 220.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 10857019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).