2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

C66H50N2 — CID 170142720

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170142720) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• PubChem CID: 170142720
• Molecular Formula: C66H50N2
• Molecular Weight: 871.14 g/mol
• Exact Mass: 870.40
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21
• InChI: InChI=1S/C66H50N2/c1-65(2)57-30-13-9-25-54(57)63-53(28-17-31-58(63)65)52-24-10-14-32-60(52)67(47-38-35-43(36-39-47)44-37-40-51-50-23-8-12-29-56(50)66(3,4)59(51)42-44)48-22-16-19-45(41-48)49-27-18-34-62-64(49)55-26-11-15-33-61(55)68(62)46-20-6-5-7-21-46/h5-42H,1-4H3
• InChIKey: QVOKGQGRYPMPCL-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.14
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170142720) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

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

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21.

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

The InChIKey is QVOKGQGRYPMPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2/c1-65(2)57-30-13-9-25-54(57)63-53(28-17-31-58(63)65)52-24-10-14-32-60(52)67(47-38-35-43(36-39-47)44-37-40-51-50-23-8-12-29-56(50)66(3,4)59(51)42-44)48-22-16-19-45(41-48)49-27-18-34-62-64(49)55-26-11-15-33-61(55)68(62)46-20-6-5-7-21-46/h5-42H,1-4H3.

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

2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline has a molecular weight of 871.14 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170142720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).