2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene

C22H18O — CID 22397631

IUPAC2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene
SMILESC1=CC=C2CC(OC3=CC=C4C=CC=CC=C4C3)=CC=C2C=C1
InChIInChI=1S/C22H18O/c1-3-7-17-11-13-21(15-19(17)9-5-1)23-22-14-12-18-8-4-2-6-10-20(18)16-22/h1-14H,15-16H2
InChIKeyMFZWCIXOXQYBPR-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.54
Rot. Bonds2

About 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene

2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene (PubChem CID 22397631) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene.

Molecular Properties

Compound Name2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene
PubChem CID22397631
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene
SMILESC1=CC=C2CC(OC3=CC=C4C=CC=CC=C4C3)=CC=C2C=C1
InChIInChI=1S/C22H18O/c1-3-7-17-11-13-21(15-19(17)9-5-1)23-22-14-12-18-8-4-2-6-10-20(18)16-22/h1-14H,15-16H2
InChIKeyMFZWCIXOXQYBPR-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene?
The IUPAC name of 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene (CID 22397631) is 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene.
What is the SMILES notation for 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene?
The canonical SMILES for 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene is C1=CC=C2CC(OC3=CC=C4C=CC=CC=C4C3)=CC=C2C=C1.
What is the InChIKey of 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene?
The InChIKey is MFZWCIXOXQYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-3-7-17-11-13-21(15-19(17)9-5-1)23-22-14-12-18-8-4-2-6-10-20(18)16-22/h1-14H,15-16H2.
What are the key properties of 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene?
2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene has a molecular weight of 298.39 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzo[7]annulen-2-yloxy)-1H-benzo[7]annulene is sourced from PubChem (CID 22397631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).