9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine

C49H44N4 — CID 140895778

About 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine

9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine (PubChem CID 140895778) has the molecular formula C49H44N4 and a molecular weight of 688.92 g/mol. Its IUPAC name is 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine
• PubChem CID: 140895778
• Molecular Formula: C49H44N4
• Molecular Weight: 688.92 g/mol
• Exact Mass: 688.36
• IUPAC Name: 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine
• SMILES: C=CCCCCCCC1(c2ccccc2)c2cc(N(c3ccccc3)c3cccnc3)ccc2-c2ccc(N(c3ccccc3)c3cccnc3)cc21
• InChI: InChI=1S/C49H44N4/c1-2-3-4-5-6-16-31-49(38-19-10-7-11-20-38)47-34-41(52(39-21-12-8-13-22-39)43-25-17-32-50-36-43)27-29-45(47)46-30-28-42(35-48(46)49)53(40-23-14-9-15-24-40)44-26-18-33-51-37-44/h2,7-15,17-30,32-37H,1,3-6,16,31H2
• InChIKey: QIMQZQYIBDVAAW-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.92
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine?

The IUPAC name of 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine (CID 140895778) is 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine.

What is the SMILES notation for 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine?

The canonical SMILES for 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine is C=CCCCCCCC1(c2ccccc2)c2cc(N(c3ccccc3)c3cccnc3)ccc2-c2ccc(N(c3ccccc3)c3cccnc3)cc21.

What is the InChIKey of 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine?

The InChIKey is QIMQZQYIBDVAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N4/c1-2-3-4-5-6-16-31-49(38-19-10-7-11-20-38)47-34-41(52(39-21-12-8-13-22-39)43-25-17-32-50-36-43)27-29-45(47)46-30-28-42(35-48(46)49)53(40-23-14-9-15-24-40)44-26-18-33-51-37-44/h2,7-15,17-30,32-37H,1,3-6,16,31H2.

What are the key properties of 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine?

9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine has a molecular weight of 688.92 g/mol, XLogP of 13.26, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-oct-7-enyl-2-N,7-N,9-triphenyl-2-N,7-N-dipyridin-3-ylfluorene-2,7-diamine is sourced from PubChem (CID 140895778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).