2,6-di(anthracen-1-yl)anthracene-9,10-dione

C42H24O2 — CID 174779139

IUPAC2,6-di(anthracen-1-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-c3cccc4cc5ccccc5cc34)cc2C(=O)c2ccc(-c3cccc4cc5ccccc5cc34)cc21
InChIInChI=1S/C42H24O2/c43-41-36-18-16-32(34-14-6-12-30-20-26-8-2-4-10-28(26)22-38(30)34)24-40(36)42(44)35-17-15-31(23-39(35)41)33-13-5-11-29-19-25-7-1-3-9-27(25)21-37(29)33/h1-24H
InChIKeyITLRFWKDRWEPQL-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.41
Rot. Bonds2

About 2,6-di(anthracen-1-yl)anthracene-9,10-dione

2,6-di(anthracen-1-yl)anthracene-9,10-dione (PubChem CID 174779139) has the molecular formula C42H24O2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2,6-di(anthracen-1-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-di(anthracen-1-yl)anthracene-9,10-dione
PubChem CID174779139
Molecular FormulaC42H24O2
Molecular Weight560.65 g/mol
Exact Mass560.18
IUPAC Name2,6-di(anthracen-1-yl)anthracene-9,10-dione
SMILESO=C1c2ccc(-c3cccc4cc5ccccc5cc34)cc2C(=O)c2ccc(-c3cccc4cc5ccccc5cc34)cc21
InChIInChI=1S/C42H24O2/c43-41-36-18-16-32(34-14-6-12-30-20-26-8-2-4-10-28(26)22-38(30)34)24-40(36)42(44)35-17-15-31(23-39(35)41)33-13-5-11-29-19-25-7-1-3-9-27(25)21-37(29)33/h1-24H
InChIKeyITLRFWKDRWEPQL-UHFFFAOYSA-N
XLogP10.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 510.41
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_2', 'substructure': 'N/A'}

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Related Compounds

2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
2-[5-(9,10-dioxophenanthren-2-yl)naphthalen-1-yl]phenanthrene-9,10-dione
CID 58300937
2-phenanthren-1-ylfluoren-9-one
CID 90732038
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
hydron;1-phenylanthracene
CID 174351162
1-(4-bromophenyl)anthracene
CID 141156344
4-anthracen-1-ylaniline
CID 18974595
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
heptacene-7,16-dione
CID 44720481
1-(2-phenylphenyl)anthracene
CID 21435778
4-anthracen-1-ylbenzonitrile
CID 151714314

Frequently Asked Questions

What is the IUPAC name of 2,6-di(anthracen-1-yl)anthracene-9,10-dione?
The IUPAC name of 2,6-di(anthracen-1-yl)anthracene-9,10-dione (CID 174779139) is 2,6-di(anthracen-1-yl)anthracene-9,10-dione.
What is the SMILES notation for 2,6-di(anthracen-1-yl)anthracene-9,10-dione?
The canonical SMILES for 2,6-di(anthracen-1-yl)anthracene-9,10-dione is O=C1c2ccc(-c3cccc4cc5ccccc5cc34)cc2C(=O)c2ccc(-c3cccc4cc5ccccc5cc34)cc21.
What is the InChIKey of 2,6-di(anthracen-1-yl)anthracene-9,10-dione?
The InChIKey is ITLRFWKDRWEPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2/c43-41-36-18-16-32(34-14-6-12-30-20-26-8-2-4-10-28(26)22-38(30)34)24-40(36)42(44)35-17-15-31(23-39(35)41)33-13-5-11-29-19-25-7-1-3-9-27(25)21-37(29)33/h1-24H.
What are the key properties of 2,6-di(anthracen-1-yl)anthracene-9,10-dione?
2,6-di(anthracen-1-yl)anthracene-9,10-dione has a molecular weight of 560.65 g/mol, XLogP of 10.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(anthracen-1-yl)anthracene-9,10-dione is sourced from PubChem (CID 174779139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).