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

C55H38F4N2 — CID 59221527

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

9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 59221527) has the molecular formula C55H38F4N2 and a molecular weight of 802.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 59221527
• Molecular Formula: C55H38F4N2
• Molecular Weight: 802.92 g/mol
• Exact Mass: 802.30
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(F)c(F)c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)c(F)c3F)cc21
• InChI: InChI=1S/C55H38F4N2/c1-55(2)46-22-12-11-21-44(46)45-33-32-42(34-47(45)55)61(39-18-7-4-8-19-39)54-52(58)50(56)49(51(57)53(54)59)38-26-30-41(31-27-38)60(48-23-13-17-37-16-9-10-20-43(37)48)40-28-24-36(25-29-40)35-14-5-3-6-15-35/h3-34H,1-2H3
• InChIKey: KEIRKQWCIKTATD-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.92
LogP ≤ 5	15.98
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-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine (CID 59221527) is 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(F)c(F)c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc4)c(F)c3F)cc21.

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

The InChIKey is KEIRKQWCIKTATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F4N2/c1-55(2)46-22-12-11-21-44(46)45-33-32-42(34-47(45)55)61(39-18-7-4-8-19-39)54-52(58)50(56)49(51(57)53(54)59)38-26-30-41(31-27-38)60(48-23-13-17-37-16-9-10-20-43(37)48)40-28-24-36(25-29-40)35-14-5-3-6-15-35/h3-34H,1-2H3.

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

9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine has a molecular weight of 802.92 g/mol, XLogP of 15.98, 8 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-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 59221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).