N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

C68H49N — CID 121321800

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 121321800) has the molecular formula C68H49N and a molecular weight of 880.15 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 121321800
• Molecular Formula: C68H49N
• Molecular Weight: 880.15 g/mol
• Exact Mass: 879.39
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C68H49N/c1-67(2)63-43-50(56-30-18-22-48-21-12-13-27-55(48)56)37-40-59(63)60-41-38-53(44-64(60)67)69(66-32-17-15-28-57(66)49-35-33-47(34-36-49)46-19-6-3-7-20-46)54-39-42-61-58-29-14-16-31-62(58)68(65(61)45-54,51-23-8-4-9-24-51)52-25-10-5-11-26-52/h3-45H,1-2H3
• InChIKey: XPFJCHAGSJUQDM-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.15
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 121321800) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is XPFJCHAGSJUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N/c1-67(2)63-43-50(56-30-18-22-48-21-12-13-27-55(48)56)37-40-59(63)60-41-38-53(44-64(60)67)69(66-32-17-15-28-57(66)49-35-33-47(34-36-49)46-19-6-3-7-20-46)54-39-42-61-58-29-14-16-31-62(58)68(65(61)45-54,51-23-8-4-9-24-51)52-25-10-5-11-26-52/h3-45H,1-2H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine?

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 880.15 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121321800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).