benzo[a]tetracene-8,13-dione

C22H12O2 — CID 628034

IUPACbenzo[a]tetracene-8,13-dione
SMILESO=C1c2ccccc2C(=O)c2cc3c(ccc4ccccc43)cc21
InChIInChI=1S/C22H12O2/c23-21-16-7-3-4-8-17(16)22(24)20-12-18-14(11-19(20)21)10-9-13-5-1-2-6-15(13)18/h1-12H
InChIKeyZSJHQAXALDPPRW-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.77
Rot. Bonds

About benzo[a]tetracene-8,13-dione

benzo[a]tetracene-8,13-dione (PubChem CID 628034) has the molecular formula C22H12O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is benzo[a]tetracene-8,13-dione.

Molecular Properties

Compound Namebenzo[a]tetracene-8,13-dione
PubChem CID628034
Molecular FormulaC22H12O2
Molecular Weight308.34 g/mol
Exact Mass308.08
IUPAC Namebenzo[a]tetracene-8,13-dione
SMILESO=C1c2ccccc2C(=O)c2cc3c(ccc4ccccc43)cc21
InChIInChI=1S/C22H12O2/c23-21-16-7-3-4-8-17(16)22(24)20-12-18-14(11-19(20)21)10-9-13-5-1-2-6-15(13)18/h1-12H
InChIKeyZSJHQAXALDPPRW-UHFFFAOYSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-1-ylfluoren-9-one
CID 90732038
naphtho[1,2-b]phenanthrene
CID 5889
benzo[c]fluoren-7-one
CID 22413
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
5-hydroxybenzo[b]fluoren-11-one
CID 177478830
1,2,3,4-tetramethylpentacene-6,13-dione
CID 141286138
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
ethane;pentacene-6,13-dione
CID 91293848
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
heptacene-7,16-dione
CID 44720481
pentacyclo[11.6.1.02,11.05,10.016,20]icosa-1,3,5,7,9,11,13(20),16,18-nonaene-14,15-dione
CID 59171863

Frequently Asked Questions

What is the IUPAC name of benzo[a]tetracene-8,13-dione?
The IUPAC name of benzo[a]tetracene-8,13-dione (CID 628034) is benzo[a]tetracene-8,13-dione.
What is the SMILES notation for benzo[a]tetracene-8,13-dione?
The canonical SMILES for benzo[a]tetracene-8,13-dione is O=C1c2ccccc2C(=O)c2cc3c(ccc4ccccc43)cc21.
What is the InChIKey of benzo[a]tetracene-8,13-dione?
The InChIKey is ZSJHQAXALDPPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O2/c23-21-16-7-3-4-8-17(16)22(24)20-12-18-14(11-19(20)21)10-9-13-5-1-2-6-15(13)18/h1-12H.
What are the key properties of benzo[a]tetracene-8,13-dione?
benzo[a]tetracene-8,13-dione has a molecular weight of 308.34 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]tetracene-8,13-dione is sourced from PubChem (CID 628034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).