9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine

C62H43N3O — CID 155483232

About 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine

9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine (PubChem CID 155483232) has the molecular formula C62H43N3O and a molecular weight of 846.05 g/mol. Its IUPAC name is 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine.

Molecular Properties

• Compound Name: 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine
• PubChem CID: 155483232
• Molecular Formula: C62H43N3O
• Molecular Weight: 846.05 g/mol
• Exact Mass: 845.34
• IUPAC Name: 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccccc2)c2oc3cc(N(c4ccccc4)c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c12
• InChI: InChI=1S/C62H43N3O/c1-42-34-39-57(64(44-22-8-3-9-23-44)45-24-10-4-11-25-45)61-60(42)51-37-35-48(41-59(51)66-61)63(43-20-6-2-7-21-43)47-36-38-55-58(40-47)65(46-26-12-5-13-27-46)56-33-19-18-32-54(56)62(55)52-30-16-14-28-49(52)50-29-15-17-31-53(50)62/h2-41H,1H3
• InChIKey: UDLRRVUOJSXXGE-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 22.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.05
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine?

The IUPAC name of 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine (CID 155483232) is 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine.

What is the SMILES notation for 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine?

The canonical SMILES for 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine is Cc1ccc(N(c2ccccc2)c2ccccc2)c2oc3cc(N(c4ccccc4)c4ccc5c(c4)N(c4ccccc4)c4ccccc4C54c5ccccc5-c5ccccc54)ccc3c12.

What is the InChIKey of 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine?

The InChIKey is UDLRRVUOJSXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3O/c1-42-34-39-57(64(44-22-8-3-9-23-44)45-24-10-4-11-25-45)61-60(42)51-37-35-48(41-59(51)66-61)63(43-20-6-2-7-21-43)47-36-38-55-58(40-47)65(46-26-12-5-13-27-46)56-33-19-18-32-54(56)62(55)52-30-16-14-28-49(52)50-29-15-17-31-53(50)62/h2-41H,1H3.

What are the key properties of 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine?

9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine has a molecular weight of 846.05 g/mol, XLogP of 16.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine is sourced from PubChem (CID 155483232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).