N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine

C74H46N2O — CID 146333018

About N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine

N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine (PubChem CID 146333018) has the molecular formula C74H46N2O and a molecular weight of 979.20 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
• PubChem CID: 146333018
• Molecular Formula: C74H46N2O
• Molecular Weight: 979.20 g/mol
• Exact Mass: 978.36
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
• SMILES: c1ccc(-n2c3cccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3c3ccc4c5ccccc5oc4c32)cc1
• InChI: InChI=1S/C74H46N2O/c1-4-23-47(24-5-1)73(48-25-6-2-7-26-48)59-36-17-12-32-54(59)68-61(73)38-20-40-63(68)76(64-41-21-39-62-69(64)55-33-13-18-37-60(55)74(62)57-34-15-10-29-50(57)51-30-11-16-35-58(51)74)66-43-22-42-65-70(66)56-46-45-53-52-31-14-19-44-67(52)77-72(53)71(56)75(65)49-27-8-3-9-28-49/h1-46H
• InChIKey: PKHFWWHTNKBPJI-UHFFFAOYSA-N
• XLogP: 18.86
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.20
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine?

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine (CID 146333018) is N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine is c1ccc(-n2c3cccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3c3ccc4c5ccccc5oc4c32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine?

The InChIKey is PKHFWWHTNKBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O/c1-4-23-47(24-5-1)73(48-25-6-2-7-26-48)59-36-17-12-32-54(59)68-61(73)38-20-40-63(68)76(64-41-21-39-62-69(64)55-33-13-18-37-60(55)74(62)57-34-15-10-29-50(57)51-30-11-16-35-58(51)74)66-43-22-42-65-70(66)56-46-45-53-52-31-14-19-44-67(52)77-72(53)71(56)75(65)49-27-8-3-9-28-49/h1-46H.

What are the key properties of N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine?

N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine has a molecular weight of 979.20 g/mol, XLogP of 18.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine is sourced from PubChem (CID 146333018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).