N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C83H56N2 — CID 167215045

About N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167215045) has the molecular formula C83H56N2 and a molecular weight of 1081.38 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 167215045
• Molecular Formula: C83H56N2
• Molecular Weight: 1081.38 g/mol
• Exact Mass: 1080.44
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21
• InChI: InChI=1S/C83H56N2/c1-81(2)71-31-15-9-30-66(71)68-51-59(44-46-72(68)81)84(60-43-45-67-65-29-14-20-36-77(65)83(78(67)52-60)75-34-18-12-27-63(75)64-28-13-19-35-76(64)83)58-41-37-53(38-42-58)54-39-47-79-69(49-54)70-50-56(40-48-80(70)85(79)57-23-7-4-8-24-57)82(55-21-5-3-6-22-55)73-32-16-10-25-61(73)62-26-11-17-33-74(62)82/h3-52H,1-2H3
• InChIKey: ZOTZBZFSLKDWHH-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.38
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 167215045) is N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is ZOTZBZFSLKDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H56N2/c1-81(2)71-31-15-9-30-66(71)68-51-59(44-46-72(68)81)84(60-43-45-67-65-29-14-20-36-77(65)83(78(67)52-60)75-34-18-12-27-63(75)64-28-13-19-35-76(64)83)58-41-37-53(38-42-58)54-39-47-79-69(49-54)70-50-56(40-48-80(70)85(79)57-23-7-4-8-24-57)82(55-21-5-3-6-22-55)73-32-16-10-25-61(73)62-26-11-17-33-74(62)82/h3-52H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?

N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1081.38 g/mol, XLogP of 20.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167215045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).