N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine

C74H53N — CID 139469368

About N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine

N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 139469368) has the molecular formula C74H53N and a molecular weight of 956.25 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
• PubChem CID: 139469368
• Molecular Formula: C74H53N
• Molecular Weight: 956.25 g/mol
• Exact Mass: 955.42
• IUPAC Name: N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)c3ccccc3-c3cccc(-c4ccccc4)c3)cc21
• InChI: InChI=1S/C74H53N/c1-73(2)68-47-56(62-35-20-26-52-25-15-16-33-61(52)62)38-42-64(68)65-43-39-59(48-69(65)73)75(72-36-18-17-34-63(72)55-28-19-27-53(45-55)50-21-7-3-8-22-50)60-40-44-67-66-41-37-54(51-23-9-4-10-24-51)46-70(66)74(71(67)49-60,57-29-11-5-12-30-57)58-31-13-6-14-32-58/h3-49H,1-2H3
• InChIKey: VGEVOOVZMAGCEE-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.25
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 139469368) is N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccc5)ccc3-4)c3ccccc3-c3cccc(-c4ccccc4)c3)cc21.

What is the InChIKey of N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?

The InChIKey is VGEVOOVZMAGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53N/c1-73(2)68-47-56(62-35-20-26-52-25-15-16-33-61(52)62)38-42-64(68)65-43-39-59(48-69(65)73)75(72-36-18-17-34-63(72)55-28-19-27-53(45-55)50-21-7-3-8-22-50)60-40-44-67-66-41-37-54(51-23-9-4-10-24-51)46-70(66)74(71(67)49-60,57-29-11-5-12-30-57)58-31-13-6-14-32-58/h3-49H,1-2H3.

What are the key properties of N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine?

N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 956.25 g/mol, XLogP of 19.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-7,9,9-triphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 139469368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).