Dibenzo[j,l]fluoranthene

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
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC6=C5C4=CC=C6
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
MW302.40 g/mol
LogP7.70
Rot. Bonds

About Dibenzo[j,l]fluoranthene

Dibenzo[j,l]fluoranthene (PubChem CID 6428082) has the molecular formula C24H14 and a molecular weight of 302.40 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 NameDibenzo[j,l]fluoranthene
PubChem CID6428082
Molecular FormulaC24H14
Molecular Weight302.40 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
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC6=C5C4=CC=C6
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
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity438

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 57.70
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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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 Dibenzo[j,l]fluoranthene?
The IUPAC name of Dibenzo[j,l]fluoranthene (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 Dibenzo[j,l]fluoranthene?
The canonical SMILES for Dibenzo[j,l]fluoranthene is C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC6=C5C4=CC=C6.
What is the InChIKey of Dibenzo[j,l]fluoranthene?
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 Dibenzo[j,l]fluoranthene?
Dibenzo[j,l]fluoranthene has a molecular weight of 302.40 g/mol, XLogP of 7.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Dibenzo[j,l]fluoranthene is sourced from PubChem (CID 6428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).