N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

C74H48N2O — CID 121358594

About N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine

N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 121358594) has the molecular formula C74H48N2O and a molecular weight of 981.21 g/mol. Its IUPAC name is N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

• Compound Name: N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
• PubChem CID: 121358594
• Molecular Formula: C74H48N2O
• Molecular Weight: 981.21 g/mol
• Exact Mass: 980.38
• IUPAC Name: N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
• SMILES: Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2oc3c(-c4ccccc4)cccc3c2c1
• InChI: InChI=1S/C74H48N2O/c1-47-45-62(73-63(46-47)60-30-16-28-55(72(60)77-73)48-19-4-2-5-20-48)50-39-43-53(44-40-50)75(52-41-37-49(38-42-52)54-27-17-35-68-70(54)61-26-11-15-34-67(61)76(68)51-21-6-3-7-22-51)69-36-18-29-59-58-25-10-14-33-66(58)74(71(59)69)64-31-12-8-23-56(64)57-24-9-13-32-65(57)74/h2-46H,1H3
• InChIKey: BOUOKBFBWNVFLX-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.21
LogP ≤ 5	19.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The IUPAC name of N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine (CID 121358594) is N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine.

What is the SMILES notation for N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The canonical SMILES for N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is Cc1cc(-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2oc3c(-c4ccccc4)cccc3c2c1.

What is the InChIKey of N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

The InChIKey is BOUOKBFBWNVFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O/c1-47-45-62(73-63(46-47)60-30-16-28-55(72(60)77-73)48-19-4-2-5-20-48)50-39-43-53(44-40-50)75(52-41-37-49(38-42-52)54-27-17-35-68-70(54)61-26-11-15-34-67(61)76(68)51-21-6-3-7-22-51)69-36-18-29-59-58-25-10-14-33-66(58)74(71(59)69)64-31-12-8-23-56(64)57-24-9-13-32-65(57)74/h2-46H,1H3.

What are the key properties of N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine?

N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 981.21 g/mol, XLogP of 19.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methyl-6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 121358594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).