5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine

C78H56N2 — CID 177098579

About 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine

5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine (PubChem CID 177098579) has the molecular formula C78H56N2 and a molecular weight of 1021.32 g/mol. Its IUPAC name is 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
• PubChem CID: 177098579
• Molecular Formula: C78H56N2
• Molecular Weight: 1021.32 g/mol
• Exact Mass: 1020.44
• IUPAC Name: 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
• SMILES: Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c3cc4ccccc4cc3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C78H56N2/c1-55-20-19-33-74-77(55)72-51-50-71(54-75(72)78(74,65-27-11-4-12-28-65)66-29-13-5-14-30-66)80(76-53-64-26-18-17-25-63(64)52-73(76)62-23-9-3-10-24-62)70-48-42-61(43-49-70)58-36-34-57(35-37-58)60-40-46-69(47-41-60)79(67-31-15-6-16-32-67)68-44-38-59(39-45-68)56-21-7-2-8-22-56/h2-54H,1H3
• InChIKey: FSNZZMXFCDTAHJ-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.32
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine (CID 177098579) is 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c3cc4ccccc4cc3-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine?

The InChIKey is FSNZZMXFCDTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N2/c1-55-20-19-33-74-77(55)72-51-50-71(54-75(72)78(74,65-27-11-4-12-28-65)66-29-13-5-14-30-66)80(76-53-64-26-18-17-25-63(64)52-73(76)62-23-9-3-10-24-62)70-48-42-61(43-49-70)58-36-34-57(35-37-58)60-40-46-69(47-41-60)79(67-31-15-6-16-32-67)68-44-38-59(39-45-68)56-21-7-2-8-22-56/h2-54H,1H3.

What are the key properties of 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine?

5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine has a molecular weight of 1021.32 g/mol, XLogP of 21.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 177098579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).