9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine

C53H36F4N2 — CID 59221549

About 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 59221549) has the molecular formula C53H36F4N2 and a molecular weight of 776.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 59221549
• Molecular Formula: C53H36F4N2
• Molecular Weight: 776.88 g/mol
• Exact Mass: 776.28
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3c(F)c(F)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c(F)c3F)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C53H36F4N2/c1-53(2)44-21-11-10-20-42(44)43-30-29-40(32-45(43)53)59(46-22-12-16-34-14-8-9-19-41(34)46)52-50(56)48(54)47(49(55)51(52)57)35-24-26-38(27-25-35)58(37-17-4-3-5-18-37)39-28-23-33-13-6-7-15-36(33)31-39/h3-32H,1-2H3
• InChIKey: HIRXXWQAHWWYGX-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.88
LogP ≤ 5	15.46
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-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine (CID 59221549) is 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3c(F)c(F)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c(F)c3F)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

The InChIKey is HIRXXWQAHWWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36F4N2/c1-53(2)44-21-11-10-20-42(44)43-30-29-40(32-45(43)53)59(46-22-12-16-34-14-8-9-19-41(34)46)52-50(56)48(54)47(49(55)51(52)57)35-24-26-38(27-25-35)58(37-17-4-3-5-18-37)39-28-23-33-13-6-7-15-36(33)31-39/h3-32H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 776.88 g/mol, XLogP of 15.46, 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-naphthalen-1-yl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 59221549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).