pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene

C20H12 — CID 86246732

IUPACpentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene
SMILESC1=CC2=Cc3c(ccc4c5cccccc-5cc34)C2=C1
InChIInChI=1S/C20H12/c1-2-5-13-11-19-17(15(13)7-3-1)9-10-18-16-8-4-6-14(16)12-20(18)19/h1-12H
InChIKeyBQISYIQUHSBPGP-UHFFFAOYSA-N
MW252.32 g/mol
LogP5.29
Rot. Bonds

About pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene

pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene (PubChem CID 86246732) has the molecular formula C20H12 and a molecular weight of 252.32 g/mol. Its IUPAC name is pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene.

Molecular Properties

Compound Namepentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene
PubChem CID86246732
Molecular FormulaC20H12
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC Namepentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene
SMILESC1=CC2=Cc3c(ccc4c5cccccc-5cc34)C2=C1
InChIInChI=1S/C20H12/c1-2-5-13-11-19-17(15(13)7-3-1)9-10-18-16-8-4-6-14(16)12-20(18)19/h1-12H
InChIKeyBQISYIQUHSBPGP-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.32
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene?
The IUPAC name of pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene (CID 86246732) is pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene.
What is the SMILES notation for pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene?
The canonical SMILES for pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene is C1=CC2=Cc3c(ccc4c5cccccc-5cc34)C2=C1.
What is the InChIKey of pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene?
The InChIKey is BQISYIQUHSBPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12/c1-2-5-13-11-19-17(15(13)7-3-1)9-10-18-16-8-4-6-14(16)12-20(18)19/h1-12H.
What are the key properties of pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene?
pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene has a molecular weight of 252.32 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.8.0.02,9.04,8.013,19]icosa-1(20),2(9),3,5,7,10,12,14,16,18-decaene is sourced from PubChem (CID 86246732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).