N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C76H59N — CID 170448170

About N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170448170) has the molecular formula C76H59N and a molecular weight of 986.32 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 170448170
• Molecular Formula: C76H59N
• Molecular Weight: 986.32 g/mol
• Exact Mass: 985.46
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc6c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21
• InChI: InChI=1S/C76H59N/c1-73(2)45-46-74(3,4)72-56(33-22-38-68(72)73)50-39-41-51(42-40-50)62-48-63-60-32-17-21-37-67(60)76(65-35-19-15-29-57(65)58-30-16-20-36-66(58)76)70(63)49-71(62)77(54-27-12-7-13-28-54)55-43-44-61-59-31-14-18-34-64(59)75(69(61)47-55,52-23-8-5-9-24-52)53-25-10-6-11-26-53/h5-44,47-49H,45-46H2,1-4H3
• InChIKey: UWEKAMHVCJPXCK-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.32
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 170448170) is N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc6c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cccc21.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is UWEKAMHVCJPXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H59N/c1-73(2)45-46-74(3,4)72-56(33-22-38-68(72)73)50-39-41-51(42-40-50)62-48-63-60-32-17-21-37-67(60)76(65-35-19-15-29-57(65)58-30-16-20-36-66(58)76)70(63)49-71(62)77(54-27-12-7-13-28-54)55-43-44-61-59-31-14-18-34-64(59)75(69(61)47-55,52-23-8-5-9-24-52)53-25-10-6-11-26-53/h5-44,47-49H,45-46H2,1-4H3.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 986.32 g/mol, XLogP of 19.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170448170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).