9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine

C65H49N — CID 89067263

About 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine

9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine (PubChem CID 89067263) has the molecular formula C65H49N and a molecular weight of 844.11 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
• PubChem CID: 89067263
• Molecular Formula: C65H49N
• Molecular Weight: 844.11 g/mol
• Exact Mass: 843.39
• IUPAC Name: 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc(-c5cc6ccccc6cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C65H49N/c1-65(2)63-42-49(32-40-59(63)60-41-39-58(45-64(60)65)66(56-18-8-4-9-19-56)57-20-10-5-11-21-57)29-28-47-24-22-46(23-25-47)26-27-48-30-33-52(34-31-48)61-43-54-16-12-13-17-55(54)44-62(61)53-37-35-51(36-38-53)50-14-6-3-7-15-50/h3-45H,1-2H3/b27-26+,29-28+
• InChIKey: QENBRYXUWNXTKC-ZDXBJJIESA-N
• XLogP: 17.96
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.11
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine (CID 89067263) is 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc(-c5cc6ccccc6cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine?

The InChIKey is QENBRYXUWNXTKC-ZDXBJJIESA-N. The full InChI is InChI=1S/C65H49N/c1-65(2)63-42-49(32-40-59(63)60-41-39-58(45-64(60)65)66(56-18-8-4-9-19-56)57-20-10-5-11-21-57)29-28-47-24-22-46(23-25-47)26-27-48-30-33-52(34-31-48)61-43-54-16-12-13-17-55(54)44-62(61)53-37-35-51(36-38-53)50-14-6-3-7-15-50/h3-45H,1-2H3/b27-26+,29-28+.

What are the key properties of 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine?

9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine has a molecular weight of 844.11 g/mol, XLogP of 17.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine is sourced from PubChem (CID 89067263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).