tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene

C20H16 — CID 12568460

IUPACtetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
SMILESc1ccc2c(c1)CCc1ccccc1-c1ccccc1-2
InChIInChI=1S/C20H16/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)20-12-6-5-11-19(17)20/h1-12H,13-14H2
InChIKeyDIAUCYHAORZXNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.12
Rot. Bonds

About tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene

tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene (PubChem CID 12568460) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene.

Molecular Properties

Compound Nametetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
PubChem CID12568460
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Nametetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
SMILESc1ccc2c(c1)CCc1ccccc1-c1ccccc1-2
InChIInChI=1S/C20H16/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)20-12-6-5-11-19(17)20/h1-12H,13-14H2
InChIKeyDIAUCYHAORZXNA-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene?
The IUPAC name of tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene (CID 12568460) is tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene.
What is the SMILES notation for tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene?
The canonical SMILES for tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene is c1ccc2c(c1)CCc1ccccc1-c1ccccc1-2.
What is the InChIKey of tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene?
The InChIKey is DIAUCYHAORZXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)20-12-6-5-11-19(17)20/h1-12H,13-14H2.
What are the key properties of tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene?
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene has a molecular weight of 256.35 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene is sourced from PubChem (CID 12568460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).