N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine

C67H51N — CID 170143598

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 170143598) has the molecular formula C67H51N and a molecular weight of 870.15 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
• PubChem CID: 170143598
• Molecular Formula: C67H51N
• Molecular Weight: 870.15 g/mol
• Exact Mass: 869.40
• IUPAC Name: N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)ccc21
• InChI: InChI=1S/C67H51N/c1-65(2)55-33-15-11-28-49(55)54-43-45(40-41-57(54)65)44-22-19-27-48(42-44)68(61-38-18-14-29-50(61)51-32-20-36-59-63(51)52-30-12-16-34-56(52)66(59,3)4)62-39-21-37-60-64(62)53-31-13-17-35-58(53)67(60,46-23-7-5-8-24-46)47-25-9-6-10-26-47/h5-43H,1-4H3
• InChIKey: WSHMDCZLMPFNND-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.15
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine (CID 170143598) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)ccc21.

What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine?

The InChIKey is WSHMDCZLMPFNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51N/c1-65(2)55-33-15-11-28-49(55)54-43-45(40-41-57(54)65)44-22-19-27-48(42-44)68(61-38-18-14-29-50(61)51-32-20-36-59-63(51)52-30-12-16-34-56(52)66(59,3)4)62-39-21-37-60-64(62)53-31-13-17-35-58(53)67(60,46-23-7-5-8-24-46)47-25-9-6-10-26-47/h5-43H,1-4H3.

What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine?

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 870.15 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 170143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).