9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine

C65H50N2 — CID 70894315

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine (PubChem CID 70894315) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
• PubChem CID: 70894315
• Molecular Formula: C65H50N2
• Molecular Weight: 859.13 g/mol
• Exact Mass: 858.40
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
• SMILES: CC1(C)C2=C(C=CCC2)c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C65H50N2/c1-65(2)61-29-14-13-27-58(61)59-40-39-54(44-62(59)65)67(63-30-16-22-48-21-9-10-25-56(48)63)64-42-41-55(57-26-11-12-28-60(57)64)49-33-37-52(38-34-49)66(51-35-31-47(32-36-51)45-17-5-3-6-18-45)53-24-15-23-50(43-53)46-19-7-4-8-20-46/h3-13,15-28,30-44H,14,29H2,1-2H3
• InChIKey: DYJFYSWPSZHBHK-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.13
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine (CID 70894315) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4)c4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine?

The InChIKey is DYJFYSWPSZHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-65(2)61-29-14-13-27-58(61)59-40-39-54(44-62(59)65)67(63-30-16-22-48-21-9-10-25-56(48)63)64-42-41-55(57-26-11-12-28-60(57)64)49-33-37-52(38-34-49)66(51-35-31-47(32-36-51)45-17-5-3-6-18-45)53-24-15-23-50(43-53)46-19-7-4-8-20-46/h3-13,15-28,30-44H,14,29H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine has a molecular weight of 859.13 g/mol, XLogP of 18.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 70894315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).