5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione

C42H24O2 — CID 59412590

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(-c1c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc13)c1ccccc21
InChIInChI=1S/C42H24O2/c43-41-34-19-9-10-20-35(34)42(44)40-29-14-4-3-13-28(29)36(24-37(40)41)39-32-17-7-5-15-30(32)38(31-16-6-8-18-33(31)39)27-22-21-25-11-1-2-12-26(25)23-27/h1-24H
InChIKeyWIBDKFYTIUJWSJ-UHFFFAOYSA-N
MW560.65 g/mol
LogP10.41
Rot. Bonds2

About 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione

5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione (PubChem CID 59412590) has the molecular formula C42H24O2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione
PubChem CID59412590
Molecular FormulaC42H24O2
Molecular Weight560.65 g/mol
Exact Mass560.18
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(-c1c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc13)c1ccccc21
InChIInChI=1S/C42H24O2/c43-41-34-19-9-10-20-35(34)42(44)40-29-14-4-3-13-28(29)36(24-37(40)41)39-32-17-7-5-15-30(32)38(31-16-6-8-18-33(31)39)27-22-21-25-11-1-2-12-26(25)23-27/h1-24H
InChIKeyWIBDKFYTIUJWSJ-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

9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene
CID 162006378
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione (CID 59412590) is 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione is O=C1c2ccccc2C(=O)c2c1cc(-c1c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc13)c1ccccc21.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione?
The InChIKey is WIBDKFYTIUJWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2/c43-41-34-19-9-10-20-35(34)42(44)40-29-14-4-3-13-28(29)36(24-37(40)41)39-32-17-7-5-15-30(32)38(31-16-6-8-18-33(31)39)27-22-21-25-11-1-2-12-26(25)23-27/h1-24H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione?
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-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 5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione is sourced from PubChem (CID 59412590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).