7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C61H50N2 — CID 90896826

About 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 90896826) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 90896826
• Molecular Formula: C61H50N2
• Molecular Weight: 811.09 g/mol
• Exact Mass: 810.40
• IUPAC Name: 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc1-2)c1cccc2ccccc12
• InChI: InChI=1S/C61H50N2/c1-41-17-12-15-25-58(41)63(59-26-16-19-44-18-13-14-24-49(44)59)48-32-36-53-51-34-30-43(38-55(51)61(4,5)57(53)40-48)28-27-42-29-33-50-52-35-31-47(39-56(52)60(2,3)54(50)37-42)62(45-20-8-6-9-21-45)46-22-10-7-11-23-46/h6-40H,1-5H3
• InChIKey: QIVKSPAFNCXJPI-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.09
LogP ≤ 5	16.87
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 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 90896826) is 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc1-2)c1cccc2ccccc12.

What is the InChIKey of 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is QIVKSPAFNCXJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-41-17-12-15-25-58(41)63(59-26-16-19-44-18-13-14-24-49(44)59)48-32-36-53-51-34-30-43(38-55(51)61(4,5)57(53)40-48)28-27-42-29-33-50-52-35-31-47(39-56(52)60(2,3)54(50)37-42)62(45-20-8-6-9-21-45)46-22-10-7-11-23-46/h6-40H,1-5H3.

What are the key properties of 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 811.09 g/mol, XLogP of 16.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 90896826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).