(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene

C14H8 — CID 134994892

IUPAC(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene
SMILESc1ccccc#cc2cccc-2cc#1
InChIInChI=1S/C14H8/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h1-4,8,10-12H/b2-1-,3-1-,4-2-,14-10-
InChIKeyKFHQNSQCEAAPOX-LGQVHIEBSA-N
MW176.22 g/mol
LogP3.12
Rot. Bonds

About (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene

(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene (PubChem CID 134994892) has the molecular formula C14H8 and a molecular weight of 176.22 g/mol. Its IUPAC name is (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene.

Molecular Properties

Compound Name(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene
PubChem CID134994892
Molecular FormulaC14H8
Molecular Weight176.22 g/mol
Exact Mass176.06
IUPAC Name(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene
SMILESc1ccccc#cc2cccc-2cc#1
InChIInChI=1S/C14H8/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h1-4,8,10-12H/b2-1-,3-1-,4-2-,14-10-
InChIKeyKFHQNSQCEAAPOX-LGQVHIEBSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene?
The IUPAC name of (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene (CID 134994892) is (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene.
What is the SMILES notation for (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene?
The canonical SMILES for (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene is c1ccccc#cc2cccc-2cc#1.
What is the InChIKey of (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene?
The InChIKey is KFHQNSQCEAAPOX-LGQVHIEBSA-N. The full InChI is InChI=1S/C14H8/c1-2-4-6-9-13-11-8-12-14(13)10-7-5-3-1/h1-4,8,10-12H/b2-1-,3-1-,4-2-,14-10-.
What are the key properties of (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene?
(6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene has a molecular weight of 176.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,12Z)-4,5,10,11-tetradehydrocyclopenta[11]annulene is sourced from PubChem (CID 134994892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).