1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline

C57H50N2 — CID 89071725

About 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline

1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline (PubChem CID 89071725) has the molecular formula C57H50N2 and a molecular weight of 763.04 g/mol. Its IUPAC name is 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline.

Molecular Properties

• Compound Name: 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline
• PubChem CID: 89071725
• Molecular Formula: C57H50N2
• Molecular Weight: 763.04 g/mol
• Exact Mass: 762.40
• IUPAC Name: 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline
• SMILES: CC1(C)c2cc(/C=C/c3ccc(-c4ccc5cc(N6CCCc7ccccc76)ccc5c4)c4ccccc34)ccc2-c2ccc(N3c4ccccc4CCC3(C)C)cc21
• InChI: InChI=1S/C57H50N2/c1-56(2)32-31-41-13-6-10-18-55(41)59(56)46-27-30-51-50-28-20-38(34-52(50)57(3,4)53(51)37-46)19-21-39-25-29-48(49-16-8-7-15-47(39)49)44-23-22-43-36-45(26-24-42(43)35-44)58-33-11-14-40-12-5-9-17-54(40)58/h5-10,12-13,15-30,34-37H,11,14,31-33H2,1-4H3/b21-19+
• InChIKey: LVMTUCBJHSMLBY-XUTLUUPISA-N
• XLogP: 15.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.04
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline?

The IUPAC name of 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline (CID 89071725) is 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline.

What is the SMILES notation for 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline?

The canonical SMILES for 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline is CC1(C)c2cc(/C=C/c3ccc(-c4ccc5cc(N6CCCc7ccccc76)ccc5c4)c4ccccc34)ccc2-c2ccc(N3c4ccccc4CCC3(C)C)cc21.

What is the InChIKey of 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline?

The InChIKey is LVMTUCBJHSMLBY-XUTLUUPISA-N. The full InChI is InChI=1S/C57H50N2/c1-56(2)32-31-41-13-6-10-18-55(41)59(56)46-27-30-51-50-28-20-38(34-52(50)57(3,4)53(51)37-46)19-21-39-25-29-48(49-16-8-7-15-47(39)49)44-23-22-43-36-45(26-24-42(43)35-44)58-33-11-14-40-12-5-9-17-54(40)58/h5-10,12-13,15-30,34-37H,11,14,31-33H2,1-4H3/b21-19+.

What are the key properties of 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline?

1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline has a molecular weight of 763.04 g/mol, XLogP of 15.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline is sourced from PubChem (CID 89071725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).