tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

C20H16 — CID 123254733

IUPACtricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=CC=Cc2ccccc2-c2ccccc2C=CC=C1
InChIInChI=1S/C20H16/c1-2-4-6-12-18-14-8-10-16-20(18)19-15-9-7-13-17(19)11-5-3-1/h1-16H/b2-1?,3-1?,4-2?,5-3?,6-4?,11-5?,12-6?,17-11?,18-12?,20-19-
InChIKeyWZFJYSAUMMCGCO-KATSHNPVSA-N
MW256.35 g/mol
LogP5.51
Rot. Bonds

About tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 123254733) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Nametricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
PubChem CID123254733
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Nametricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=CC=Cc2ccccc2-c2ccccc2C=CC=C1
InChIInChI=1S/C20H16/c1-2-4-6-12-18-14-8-10-16-20(18)19-15-9-7-13-17(19)11-5-3-1/h1-16H/b2-1?,3-1?,4-2?,5-3?,6-4?,11-5?,12-6?,17-11?,18-12?,20-19-
InChIKeyWZFJYSAUMMCGCO-KATSHNPVSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (CID 123254733) is tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is C1=CC=Cc2ccccc2-c2ccccc2C=CC=C1.
What is the InChIKey of tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is WZFJYSAUMMCGCO-KATSHNPVSA-N. The full InChI is InChI=1S/C20H16/c1-2-4-6-12-18-14-8-10-16-20(18)19-15-9-7-13-17(19)11-5-3-1/h1-16H/b2-1?,3-1?,4-2?,5-3?,6-4?,11-5?,12-6?,17-11?,18-12?,20-19-.
What are the key properties of tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 256.35 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 123254733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).