10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one

C61H42N2O — CID 122425533

About 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one

10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one (PubChem CID 122425533) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one.

Molecular Properties

• Compound Name: 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one
• PubChem CID: 122425533
• Molecular Formula: C61H42N2O
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.33
• IUPAC Name: 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one
• SMILES: O=c1c2ccccc2n(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)c2)c2ccccc12
• InChI: InChI=1S/C61H42N2O/c64-61-57-24-7-9-26-59(57)63(60-27-10-8-25-58(60)61)56-23-13-22-52(42-56)47-32-38-55(39-33-47)62(53-34-28-45(29-35-53)50-20-11-18-48(40-50)43-14-3-1-4-15-43)54-36-30-46(31-37-54)51-21-12-19-49(41-51)44-16-5-2-6-17-44/h1-42H
• InChIKey: LKVNKKMGGLDUQP-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one?

The IUPAC name of 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one (CID 122425533) is 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one.

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

The canonical SMILES for 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one is O=c1c2ccccc2n(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6ccccc6)c5)cc4)cc3)c2)c2ccccc12.

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

The InChIKey is LKVNKKMGGLDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c64-61-57-24-7-9-26-59(57)63(60-27-10-8-25-58(60)61)56-23-13-22-52(42-56)47-32-38-55(39-33-47)62(53-34-28-45(29-35-53)50-20-11-18-48(40-50)43-14-3-1-4-15-43)54-36-30-46(31-37-54)51-21-12-19-49(41-51)44-16-5-2-6-17-44/h1-42H.

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

10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one has a molecular weight of 819.02 g/mol, XLogP of 15.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one is sourced from PubChem (CID 122425533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).