hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene

C24H14 — CID 6428082

IUPAChexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene
SMILESc1cc2c3c(cccc3c1)-c1c-2c2ccccc2c2ccccc12
InChIInChI=1S/C24H14/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)24-21-14-6-8-15-7-5-13-20(22(15)21)23(18)24/h1-14H
InChIKeyJYVYSXOKKXPQHQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP6.79
Rot. Bonds

About hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene

hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene (PubChem CID 6428082) has the molecular formula C24H14 and a molecular weight of 302.38 g/mol. Its IUPAC name is hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene.

Molecular Properties

Compound Namehexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene
PubChem CID6428082
Molecular FormulaC24H14
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Namehexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene
SMILESc1cc2c3c(cccc3c1)-c1c-2c2ccccc2c2ccccc12
InChIInChI=1S/C24H14/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)24-21-14-6-8-15-7-5-13-20(22(15)21)23(18)24/h1-14H
InChIKeyJYVYSXOKKXPQHQ-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene with MolForge

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001

Frequently Asked Questions

What is the IUPAC name of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene?
The IUPAC name of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene (CID 6428082) is hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene.
What is the SMILES notation for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene?
The canonical SMILES for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene is c1cc2c3c(cccc3c1)-c1c-2c2ccccc2c2ccccc12.
What is the InChIKey of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene?
The InChIKey is JYVYSXOKKXPQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)24-21-14-6-8-15-7-5-13-20(22(15)21)23(18)24/h1-14H.
What are the key properties of hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene?
hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene has a molecular weight of 302.38 g/mol, XLogP of 6.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene is sourced from PubChem (CID 6428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).