5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one

C56H37N3O — CID 90379878

About 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one

5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one (PubChem CID 90379878) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one.

Molecular Properties

• Compound Name: 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one
• PubChem CID: 90379878
• Molecular Formula: C56H37N3O
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.29
• IUPAC Name: 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one
• SMILES: O=c1c2ccccc2c2cc(-c3ccc4c(c3)Cc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc3N4c3ccccc3)ccc2n1-c1ccccc1
• InChI: InChI=1S/C56H37N3O/c60-56-47-23-11-10-21-45(47)49-34-38(28-31-55(49)59(56)43-19-8-3-9-20-43)37-27-30-51-40(33-37)36-48-44(24-14-26-53(48)57(51)41-15-4-1-5-16-41)39-29-32-54-50(35-39)46-22-12-13-25-52(46)58(54)42-17-6-2-7-18-42/h1-35H,36H2
• InChIKey: GRLYLTOXFMRQRL-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 30.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one?

The IUPAC name of 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one (CID 90379878) is 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one.

What is the SMILES notation for 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one?

The canonical SMILES for 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccc4c(c3)Cc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc3N4c3ccccc3)ccc2n1-c1ccccc1.

What is the InChIKey of 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one?

The InChIKey is GRLYLTOXFMRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O/c60-56-47-23-11-10-21-45(47)49-34-38(28-31-55(49)59(56)43-19-8-3-9-20-43)37-27-30-51-40(33-37)36-48-44(24-14-26-53(48)57(51)41-15-4-1-5-16-41)39-29-32-54-50(35-39)46-22-12-13-25-52(46)58(54)42-17-6-2-7-18-42/h1-35H,36H2.

What are the key properties of 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one?

5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one has a molecular weight of 767.93 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-3-yl)-9H-acridin-2-yl]phenanthridin-6-one is sourced from PubChem (CID 90379878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).