pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene

C16H8 — CID 173317779

IUPACpentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene
SMILESc1cc2cc3cc4c5cc(cc3c5)-c1cc24
InChIInChI=1S/C16H8/c1-2-10-3-13-8-16-14-5-11(4-12(13)6-14)9(1)7-15(10)16/h1-8H
InChIKeyPSCRQHHKCTYDKX-UHFFFAOYSA-N
MW200.24 g/mol
LogP4.56
Rot. Bonds

About pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene

pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene (PubChem CID 173317779) has the molecular formula C16H8 and a molecular weight of 200.24 g/mol. Its IUPAC name is pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene.

Molecular Properties

Compound Namepentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene
PubChem CID173317779
Molecular FormulaC16H8
Molecular Weight200.24 g/mol
Exact Mass200.06
IUPAC Namepentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene
SMILESc1cc2cc3cc4c5cc(cc3c5)-c1cc24
InChIInChI=1S/C16H8/c1-2-10-3-13-8-16-14-5-11(4-12(13)6-14)9(1)7-15(10)16/h1-8H
InChIKeyPSCRQHHKCTYDKX-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene?
The IUPAC name of pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene (CID 173317779) is pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene.
What is the SMILES notation for pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene?
The canonical SMILES for pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene is c1cc2cc3cc4c5cc(cc3c5)-c1cc24.
What is the InChIKey of pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene?
The InChIKey is PSCRQHHKCTYDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8/c1-2-10-3-13-8-16-14-5-11(4-12(13)6-14)9(1)7-15(10)16/h1-8H.
What are the key properties of pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene?
pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene has a molecular weight of 200.24 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.5.1.110,14.02,7.04,12]hexadeca-1,3,5,7,9(15),10(16),11,13-octaene is sourced from PubChem (CID 173317779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).