N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

C101H68N2O — CID 177287521

About N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (PubChem CID 177287521) has the molecular formula C101H68N2O and a molecular weight of 1325.67 g/mol. Its IUPAC name is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
• PubChem CID: 177287521
• Molecular Formula: C101H68N2O
• Molecular Weight: 1325.67 g/mol
• Exact Mass: 1324.53
• IUPAC Name: N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
• SMILES: Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2
• InChI: InChI=1S/C101H68N2O/c1-65-45-57-79-81-59-55-75(63-91(81)99(89(79)61-65,69-25-7-3-8-26-69)70-27-9-4-10-28-70)102(76-56-60-82-80-58-46-66(2)62-90(80)100(92(82)64-76,71-29-11-5-12-30-71)72-31-13-6-14-32-72)73-51-47-67(48-52-73)68-49-53-74(54-50-68)103(94-42-24-44-96-98(94)84-36-18-22-43-95(84)104-96)93-41-23-40-88-97(93)83-35-17-21-39-87(83)101(88)85-37-19-15-33-77(85)78-34-16-20-38-86(78)101/h3-64H,1-2H3
• InChIKey: GEVLYEMIQNSYPV-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.67
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?

The IUPAC name of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (CID 177287521) is N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

What is the SMILES notation for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?

The canonical SMILES for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)ccc1-2.

What is the InChIKey of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?

The InChIKey is GEVLYEMIQNSYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H68N2O/c1-65-45-57-79-81-59-55-75(63-91(81)99(89(79)61-65,69-25-7-3-8-26-69)70-27-9-4-10-28-70)102(76-56-60-82-80-58-46-66(2)62-90(80)100(92(82)64-76,71-29-11-5-12-30-71)72-31-13-6-14-32-72)73-51-47-67(48-52-73)68-49-53-74(54-50-68)103(94-42-24-44-96-98(94)84-36-18-22-43-95(84)104-96)93-41-23-40-88-97(93)83-35-17-21-39-87(83)101(88)85-37-19-15-33-77(85)78-34-16-20-38-86(78)101/h3-64H,1-2H3.

What are the key properties of N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine has a molecular weight of 1325.67 g/mol, XLogP of 25.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 177287521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).