10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one

C60H39N3O2 — CID 122425387

About 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one

10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one (PubChem CID 122425387) has the molecular formula C60H39N3O2 and a molecular weight of 833.99 g/mol. Its IUPAC name is 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one.

Molecular Properties

• Compound Name: 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one
• PubChem CID: 122425387
• Molecular Formula: C60H39N3O2
• Molecular Weight: 833.99 g/mol
• Exact Mass: 833.30
• IUPAC Name: 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one
• SMILES: O=c1c2ccccc2n(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c(=O)c7ccccc76)c5)cc4)c4ccc5ccccc5c4)cc3)c2)c2ccccc12
• InChI: InChI=1S/C60H39N3O2/c64-59-51-19-3-7-23-55(51)62(56-24-8-4-20-52(56)59)48-17-11-15-44(37-48)41-27-32-46(33-28-41)61(50-36-31-40-13-1-2-14-43(40)39-50)47-34-29-42(30-35-47)45-16-12-18-49(38-45)63-57-25-9-5-21-53(57)60(65)54-22-6-10-26-58(54)63/h1-39H
• InChIKey: YWJTWJFEGHEICX-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 47.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.99
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one?

The IUPAC name of 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one (CID 122425387) is 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one.

What is the SMILES notation for 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one?

The canonical SMILES for 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one is O=c1c2ccccc2n(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-n6c7ccccc7c(=O)c7ccccc76)c5)cc4)c4ccc5ccccc5c4)cc3)c2)c2ccccc12.

What is the InChIKey of 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one?

The InChIKey is YWJTWJFEGHEICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O2/c64-59-51-19-3-7-23-55(51)62(56-24-8-4-20-52(56)59)48-17-11-15-44(37-48)41-27-32-46(33-28-41)61(50-36-31-40-13-1-2-14-43(40)39-50)47-34-29-42(30-35-47)45-16-12-18-49(38-45)63-57-25-9-5-21-53(57)60(65)54-22-6-10-26-58(54)63/h1-39H.

What are the key properties of 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one?

10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one has a molecular weight of 833.99 g/mol, XLogP of 14.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[4-[N-naphthalen-2-yl-4-[3-(9-oxoacridin-10-yl)phenyl]anilino]phenyl]phenyl]acridin-9-one is sourced from PubChem (CID 122425387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).