10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine

C72H44N2 — CID 59220915

About 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine

10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine (PubChem CID 59220915) has the molecular formula C72H44N2 and a molecular weight of 937.16 g/mol. Its IUPAC name is 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
• PubChem CID: 59220915
• Molecular Formula: C72H44N2
• Molecular Weight: 937.16 g/mol
• Exact Mass: 936.35
• IUPAC Name: 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine
• SMILES: c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2c1
• InChI: InChI=1S/C72H44N2/c1-9-27-65-43(15-1)39-44-16-2-10-28-66(44)73(65)47-31-33-61-63(41-47)71(59-37-35-57-51-21-7-5-19-49(51)53-23-13-25-55(59)69(53)57)62-34-32-48(74-67-29-11-3-17-45(67)40-46-18-4-12-30-68(46)74)42-64(62)72(61)60-38-36-58-52-22-8-6-20-50(52)54-24-14-26-56(60)70(54)58/h1-38,41-42H,39-40H2
• InChIKey: IMCOXRFIMKMPKV-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.16
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine (CID 59220915) is 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine.

What is the SMILES notation for 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine?

The canonical SMILES for 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine is c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c3cc(N4c5ccccc5Cc5ccccc54)ccc3c(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2c1.

What is the InChIKey of 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine?

The InChIKey is IMCOXRFIMKMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2/c1-9-27-65-43(15-1)39-44-16-2-10-28-66(44)73(65)47-31-33-61-63(41-47)71(59-37-35-57-51-21-7-5-19-49(51)53-23-13-25-55(59)69(53)57)62-34-32-48(74-67-29-11-3-17-45(67)40-46-18-4-12-30-68(46)74)42-64(62)72(61)60-38-36-58-52-22-8-6-20-50(52)54-24-14-26-56(60)70(54)58/h1-38,41-42H,39-40H2.

What are the key properties of 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine?

10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine has a molecular weight of 937.16 g/mol, XLogP of 19.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(9H-acridin-10-yl)-9,10-di(fluoranthen-3-yl)anthracen-2-yl]-9H-acridine is sourced from PubChem (CID 59220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).