hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C24H14 — CID 21087944

IUPAChexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=Cc2cc3c(ccc4ccc5cc6c(cc5c43)=CC=C6)cc2=C1
InChIInChI=1S/C24H14/c1-3-16-11-20-9-7-15-8-10-21-12-17-4-2-6-19(17)14-23(21)24(15)22(20)13-18(16)5-1/h1-14H
InChIKeyPFBAAKICFFFAPX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.76
Rot. Bonds

About hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 21087944) has the molecular formula C24H14 and a molecular weight of 302.38 g/mol. Its IUPAC name is hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Namehexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID21087944
Molecular FormulaC24H14
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Namehexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESC1=Cc2cc3c(ccc4ccc5cc6c(cc5c43)=CC=C6)cc2=C1
InChIInChI=1S/C24H14/c1-3-16-11-20-9-7-15-8-10-21-12-17-4-2-6-19(17)14-23(21)24(15)22(20)13-18(16)5-1/h1-14H
InChIKeyPFBAAKICFFFAPX-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 21087944) is hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is C1=Cc2cc3c(ccc4ccc5cc6c(cc5c43)=CC=C6)cc2=C1.
What is the InChIKey of hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is PFBAAKICFFFAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14/c1-3-16-11-20-9-7-15-8-10-21-12-17-4-2-6-19(17)14-23(21)24(15)22(20)13-18(16)5-1/h1-14H.
What are the key properties of hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 302.38 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.11.0.02,10.04,8.016,24.018,22]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 21087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).