9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine

C71H49N — CID 59308268

About 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine

9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine (PubChem CID 59308268) has the molecular formula C71H49N and a molecular weight of 916.18 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
• PubChem CID: 59308268
• Molecular Formula: C71H49N
• Molecular Weight: 916.18 g/mol
• Exact Mass: 915.39
• IUPAC Name: 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C71H49N/c1-71(2)66-43-54(32-37-59(66)60-39-36-57(44-67(60)71)72(55-34-30-46-18-12-14-26-51(46)40-55)56-35-31-47-19-13-15-27-52(47)41-56)53-33-38-62-65(42-53)58-28-16-17-29-61(58)69-64(49-22-8-4-9-23-49)45-63(48-20-6-3-7-21-48)68(70(62)69)50-24-10-5-11-25-50/h3-45H,1-2H3
• InChIKey: ZVKMBAVZIYOKII-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.18
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine (CID 59308268) is 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21.

What is the InChIKey of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine?

The InChIKey is ZVKMBAVZIYOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N/c1-71(2)66-43-54(32-37-59(66)60-39-36-57(44-67(60)71)72(55-34-30-46-18-12-14-26-51(46)40-55)56-35-31-47-19-13-15-27-52(47)41-56)53-33-38-62-65(42-53)58-28-16-17-29-61(58)69-64(49-22-8-4-9-23-49)45-63(48-20-6-3-7-21-48)68(70(62)69)50-24-10-5-11-25-50/h3-45H,1-2H3.

What are the key properties of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine?

9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine has a molecular weight of 916.18 g/mol, XLogP of 19.90, 7 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-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine is sourced from PubChem (CID 59308268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).