N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

C69H53N — CID 123471672

About N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 123471672) has the molecular formula C69H53N and a molecular weight of 896.19 g/mol. Its IUPAC name is N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
• PubChem CID: 123471672
• Molecular Formula: C69H53N
• Molecular Weight: 896.19 g/mol
• Exact Mass: 895.42
• IUPAC Name: N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
• SMILES: CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C=Cc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc3-4)ccc12
• InChI: InChI=1S/C69H53N/c1-67(2)61-27-17-16-26-59(61)65-66(67)60-41-35-50(44-62(60)68(65,3)4)51-34-40-58-57-39-32-47(42-63(57)69(64(58)45-51,52-20-8-5-9-21-52)53-22-10-6-11-23-53)29-28-46-30-36-55(37-31-46)70(54-24-12-7-13-25-54)56-38-33-48-18-14-15-19-49(48)43-56/h5-45H,1-4H3
• InChIKey: RHTFGYBRLGJMOV-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.19
LogP ≤ 5	18.00
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 N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The IUPAC name of N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 123471672) is N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The canonical SMILES for N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C=Cc5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc3-4)ccc12.

What is the InChIKey of N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

The InChIKey is RHTFGYBRLGJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53N/c1-67(2)61-27-17-16-26-59(61)65-66(67)60-41-35-50(44-62(60)68(65,3)4)51-34-40-58-57-39-32-47(42-63(57)69(64(58)45-51,52-20-8-5-9-21-52)53-22-10-6-11-23-53)29-28-46-30-36-55(37-31-46)70(54-24-12-7-13-25-54)56-38-33-48-18-14-15-19-49(48)43-56/h5-45H,1-4H3.

What are the key properties of N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?

N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 896.19 g/mol, XLogP of 18.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 123471672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).