5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine

C59H47N3 — CID 89071833

About 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine

5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine (PubChem CID 89071833) has the molecular formula C59H47N3 and a molecular weight of 798.05 g/mol. Its IUPAC name is 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine.

Molecular Properties

• Compound Name: 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine
• PubChem CID: 89071833
• Molecular Formula: C59H47N3
• Molecular Weight: 798.05 g/mol
• Exact Mass: 797.38
• IUPAC Name: 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine
• SMILES: C=CC1=C(/C=C\C)Cc2ccccc2N1c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3cccc4c(N5c6ccccc6N(c6ccccc6)c6ccccc65)cccc34)ccc1-2
• InChI: InChI=1S/C59H47N3/c1-5-18-42-38-43-19-10-11-25-53(43)61(52(42)6-2)45-34-36-48-47-35-32-40(37-50(47)59(3,4)51(48)39-45)31-33-41-20-16-24-49-46(41)23-17-30-54(49)62-57-28-14-12-26-55(57)60(44-21-8-7-9-22-44)56-27-13-15-29-58(56)62/h5-37,39H,2,38H2,1,3-4H3/b18-5-,33-31+
• InChIKey: MQIBWTMWRRDOEM-OFWFCBJHSA-N
• XLogP: 16.28
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.05
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine?

The IUPAC name of 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine (CID 89071833) is 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine.

What is the SMILES notation for 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine?

The canonical SMILES for 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine is C=CC1=C(/C=C\C)Cc2ccccc2N1c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3cccc4c(N5c6ccccc6N(c6ccccc6)c6ccccc65)cccc34)ccc1-2.

What is the InChIKey of 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine?

The InChIKey is MQIBWTMWRRDOEM-OFWFCBJHSA-N. The full InChI is InChI=1S/C59H47N3/c1-5-18-42-38-43-19-10-11-25-53(43)61(52(42)6-2)45-34-36-48-47-35-32-40(37-50(47)59(3,4)51(48)39-45)31-33-41-20-16-24-49-46(41)23-17-30-54(49)62-57-28-14-12-26-55(57)60(44-21-8-7-9-22-44)56-27-13-15-29-58(56)62/h5-37,39H,2,38H2,1,3-4H3/b18-5-,33-31+.

What are the key properties of 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine?

5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine has a molecular weight of 798.05 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine is sourced from PubChem (CID 89071833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).