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

C67H49N — CID 166566247

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

N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 166566247) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 166566247
• Molecular Formula: C67H49N
• Molecular Weight: 868.14 g/mol
• Exact Mass: 867.39
• IUPAC Name: N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7ccccc7c6)c5)cc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21
• InChI: InChI=1S/C67H49N/c1-67(2)65-23-12-11-22-63(65)64-39-38-62(45-66(64)67)68(61-36-32-52(33-37-61)59-43-57(46-14-5-3-6-15-46)42-58(44-59)47-16-7-4-8-17-47)60-34-30-50(31-35-60)49-24-26-51(27-25-49)54-20-13-21-55(40-54)56-29-28-48-18-9-10-19-53(48)41-56/h3-45H,1-2H3
• InChIKey: BGKZDLWRLVQYCI-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.14
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine (CID 166566247) is N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7ccccc7c6)c5)cc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21.

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

The InChIKey is BGKZDLWRLVQYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-67(2)65-23-12-11-22-63(65)64-39-38-62(45-66(64)67)68(61-36-32-52(33-37-61)59-43-57(46-14-5-3-6-15-46)42-58(44-59)47-16-7-4-8-17-47)60-34-30-50(31-35-60)49-24-26-51(27-25-49)54-20-13-21-55(40-54)56-29-28-48-18-9-10-19-53(48)41-56/h3-45H,1-2H3.

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

N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 868.14 g/mol, XLogP of 18.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 166566247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).