tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene

C14H10 — CID 141391769

IUPACtetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene
SMILESC1=c2cc3cccc4cc(c2=c43)CC1
InChIInChI=1S/C14H10/c1-3-9-7-11-5-2-6-12-8-10(4-1)13(9)14(11)12/h1,3-5,7-8H,2,6H2
InChIKeyZGHQHIHSCVMRAA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.45
Rot. Bonds

About tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene

tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene (PubChem CID 141391769) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene.

Molecular Properties

Compound Nametetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene
PubChem CID141391769
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Nametetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene
SMILESC1=c2cc3cccc4cc(c2=c43)CC1
InChIInChI=1S/C14H10/c1-3-9-7-11-5-2-6-12-8-10(4-1)13(9)14(11)12/h1,3-5,7-8H,2,6H2
InChIKeyZGHQHIHSCVMRAA-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene?
The IUPAC name of tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene (CID 141391769) is tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene.
What is the SMILES notation for tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene?
The canonical SMILES for tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene is C1=c2cc3cccc4cc(c2=c43)CC1.
What is the InChIKey of tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene?
The InChIKey is ZGHQHIHSCVMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-3-9-7-11-5-2-6-12-8-10(4-1)13(9)14(11)12/h1,3-5,7-8H,2,6H2.
What are the key properties of tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene?
tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene has a molecular weight of 178.23 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5,7,11(14),12-hexaene is sourced from PubChem (CID 141391769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).