9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine

C49H34F4N2 — CID 59221580

About 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 59221580) has the molecular formula C49H34F4N2 and a molecular weight of 726.82 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 59221580
• Molecular Formula: C49H34F4N2
• Molecular Weight: 726.82 g/mol
• Exact Mass: 726.27
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4c(F)c(F)c(N(c5ccccc5)c5ccc6ccccc6c5)c(F)c4F)cc3)cc21
• InChI: InChI=1S/C49H34F4N2/c1-49(2)41-20-12-11-19-39(41)40-28-27-38(30-42(40)49)54(34-15-5-3-6-16-34)36-24-22-32(23-25-36)43-44(50)46(52)48(47(53)45(43)51)55(35-17-7-4-8-18-35)37-26-21-31-13-9-10-14-33(31)29-37/h3-30H,1-2H3
• InChIKey: NTZWXALBLMCLLO-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.82
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine (CID 59221580) is 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4c(F)c(F)c(N(c5ccccc5)c5ccc6ccccc6c5)c(F)c4F)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The InChIKey is NTZWXALBLMCLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34F4N2/c1-49(2)41-20-12-11-19-39(41)40-28-27-38(30-42(40)49)54(34-15-5-3-6-16-34)36-24-22-32(23-25-36)43-44(50)46(52)48(47(53)45(43)51)55(35-17-7-4-8-18-35)37-26-21-31-13-9-10-14-33(31)29-37/h3-30H,1-2H3.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 726.82 g/mol, XLogP of 14.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-[2,3,5,6-tetrafluoro-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 59221580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).