N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine

C83H68N2 — CID 176611463

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

N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine (PubChem CID 176611463) has the molecular formula C83H68N2 and a molecular weight of 1093.47 g/mol. Its IUPAC name is N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine
• PubChem CID: 176611463
• Molecular Formula: C83H68N2
• Molecular Weight: 1093.47 g/mol
• Exact Mass: 1092.54
• IUPAC Name: N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)cc4-c4ccccc4)cc3)c3cccc(C4C5CC6CC(C5)CC4C6)c3)cc21
• InChI: InChI=1S/C83H68N2/c1-83(2)80-28-15-14-27-74(80)75-44-43-73(52-81(75)83)85(71-26-16-25-65(51-71)82-66-46-55-45-56(48-66)49-67(82)47-55)70-40-34-63(35-41-70)79-54-76(60-20-8-4-9-21-60)78(53-77(79)61-22-10-5-11-23-61)62-32-38-69(39-33-62)84(72-42-31-58-19-12-13-24-64(58)50-72)68-36-29-59(30-37-68)57-17-6-3-7-18-57/h3-44,50-56,66-67,82H,45-49H2,1-2H3
• InChIKey: OIWQZJWKKWUGTE-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.47
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine?

The IUPAC name of N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine (CID 176611463) is N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)cc4-c4ccccc4)cc3)c3cccc(C4C5CC6CC(C5)CC4C6)c3)cc21.

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

The InChIKey is OIWQZJWKKWUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H68N2/c1-83(2)80-28-15-14-27-74(80)75-44-43-73(52-81(75)83)85(71-26-16-25-65(51-71)82-66-46-55-45-56(48-66)49-67(82)47-55)70-40-34-63(35-41-70)79-54-76(60-20-8-4-9-21-60)78(53-77(79)61-22-10-5-11-23-61)62-32-38-69(39-33-62)84(72-42-31-58-19-12-13-24-64(58)50-72)68-36-29-59(30-37-68)57-17-6-3-7-18-57/h3-44,50-56,66-67,82H,45-49H2,1-2H3.

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

N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine has a molecular weight of 1093.47 g/mol, XLogP of 22.96, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 176611463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).