1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one

C55H36N2O — CID 122430906

About 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one

1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one (PubChem CID 122430906) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one.

Molecular Properties

• Compound Name: 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one
• PubChem CID: 122430906
• Molecular Formula: C55H36N2O
• Molecular Weight: 740.91 g/mol
• Exact Mass: 740.28
• IUPAC Name: 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one
• SMILES: O=c1c2ccccc2n(-c2ccccc2)c2cccc(-c3ccc(-c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)c12
• InChI: InChI=1S/C55H36N2O/c58-55-46-22-11-13-25-50(46)56(43-19-8-3-9-20-43)53-26-14-23-45(54(53)55)40-29-27-39(28-30-40)44-21-10-12-24-49(44)57-51-33-31-41(37-15-4-1-5-16-37)35-47(51)48-36-42(32-34-52(48)57)38-17-6-2-7-18-38/h1-36H
• InChIKey: KRJWRZXLXWPDOH-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 26.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.91
LogP ≤ 5	13.91
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 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one?

The IUPAC name of 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one (CID 122430906) is 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one.

What is the SMILES notation for 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one?

The canonical SMILES for 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one is O=c1c2ccccc2n(-c2ccccc2)c2cccc(-c3ccc(-c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)c12.

What is the InChIKey of 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one?

The InChIKey is KRJWRZXLXWPDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c58-55-46-22-11-13-25-50(46)56(43-19-8-3-9-20-43)53-26-14-23-45(54(53)55)40-29-27-39(28-30-40)44-21-10-12-24-49(44)57-51-33-31-41(37-15-4-1-5-16-37)35-47(51)48-36-42(32-34-52(48)57)38-17-6-2-7-18-38/h1-36H.

What are the key properties of 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one?

1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one has a molecular weight of 740.91 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-10-phenylacridin-9-one is sourced from PubChem (CID 122430906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).