2,6-di(carbazol-9-yl)anthracene-9,10-dione

C38H22N2O2 — CID 23584855

IUPAC2,6-di(carbazol-9-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4ccccc4c4ccccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C38H22N2O2/c41-37-30-20-18-24(40-35-15-7-3-11-27(35)28-12-4-8-16-36(28)40)22-32(30)38(42)29-19-17-23(21-31(29)37)39-33-13-5-1-9-25(33)26-10-2-6-14-34(26)39/h1-22H
InChIKeyPGSSOHYXCTUKCT-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.66
Rot. Bonds2

About 2,6-di(carbazol-9-yl)anthracene-9,10-dione

2,6-di(carbazol-9-yl)anthracene-9,10-dione (PubChem CID 23584855) has the molecular formula C38H22N2O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 2,6-di(carbazol-9-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-di(carbazol-9-yl)anthracene-9,10-dione
PubChem CID23584855
Molecular FormulaC38H22N2O2
Molecular Weight538.61 g/mol
Exact Mass538.17
IUPAC Name2,6-di(carbazol-9-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-n3c4ccccc4c4ccccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C38H22N2O2/c41-37-30-20-18-24(40-35-15-7-3-11-27(35)28-12-4-8-16-36(28)40)22-32(30)38(42)29-19-17-23(21-31(29)37)39-33-13-5-1-9-25(33)26-10-2-6-14-34(26)39/h1-22H
InChIKeyPGSSOHYXCTUKCT-UHFFFAOYSA-N
XLogP8.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
CID 144761612
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione
CID 118972314
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29-pentadecaen-22-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2,4,6,8(13),9,11,14,16,18,20,22,24,27,29-pentadecaen-10-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)carbazole;9-(26-oxahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-5-yl)carbazole
CID 165082856
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989

Frequently Asked Questions

What is the IUPAC name of 2,6-di(carbazol-9-yl)anthracene-9,10-dione?
The IUPAC name of 2,6-di(carbazol-9-yl)anthracene-9,10-dione (CID 23584855) is 2,6-di(carbazol-9-yl)anthracene-9,10-dione.
What is the SMILES notation for 2,6-di(carbazol-9-yl)anthracene-9,10-dione?
The canonical SMILES for 2,6-di(carbazol-9-yl)anthracene-9,10-dione is O=C1c2ccc(-n3c4ccccc4c4ccccc43)cc2C(=O)c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2,6-di(carbazol-9-yl)anthracene-9,10-dione?
The InChIKey is PGSSOHYXCTUKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O2/c41-37-30-20-18-24(40-35-15-7-3-11-27(35)28-12-4-8-16-36(28)40)22-32(30)38(42)29-19-17-23(21-31(29)37)39-33-13-5-1-9-25(33)26-10-2-6-14-34(26)39/h1-22H.
What are the key properties of 2,6-di(carbazol-9-yl)anthracene-9,10-dione?
2,6-di(carbazol-9-yl)anthracene-9,10-dione has a molecular weight of 538.61 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(carbazol-9-yl)anthracene-9,10-dione is sourced from PubChem (CID 23584855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).