7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine

C64H41N3 — CID 134595966

About 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine

7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine (PubChem CID 134595966) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine.

Molecular Properties

• Compound Name: 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine
• PubChem CID: 134595966
• Molecular Formula: C64H41N3
• Molecular Weight: 852.05 g/mol
• Exact Mass: 851.33
• IUPAC Name: 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine
• SMILES: Cc1c2c(-c3ccccc3)nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccccn6)ccc4-5)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
• InChI: InChI=1S/C64H41N3/c1-38-58-49-23-11-14-27-56(49)66-62(40-17-5-3-6-18-40)60(58)39(2)59-50-33-29-43(37-57(50)67-63(61(38)59)41-19-7-4-8-20-41)42-28-31-47-48-32-30-44(55-26-15-16-34-65-55)36-54(48)64(53(47)35-42)51-24-12-9-21-45(51)46-22-10-13-25-52(46)64/h3-37H,1-2H3
• InChIKey: SGTNLHCZURNMSX-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.05
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine?

The IUPAC name of 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine (CID 134595966) is 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine.

What is the SMILES notation for 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine?

The canonical SMILES for 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccccn6)ccc4-5)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.

What is the InChIKey of 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine?

The InChIKey is SGTNLHCZURNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-38-58-49-23-11-14-27-56(49)66-62(40-17-5-3-6-18-40)60(58)39(2)59-50-33-29-43(37-57(50)67-63(61(38)59)41-19-7-4-8-20-41)42-28-31-47-48-32-30-44(55-26-15-16-34-65-55)36-54(48)64(53(47)35-42)51-24-12-9-21-45(51)46-22-10-13-25-52(46)64/h3-37H,1-2H3.

What are the key properties of 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine?

7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine has a molecular weight of 852.05 g/mol, XLogP of 16.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7,14-dimethyl-6,13-diphenyl-3-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)quinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134595966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).