N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C68H45N — CID 121423691

About N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121423691) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 121423691
• Molecular Formula: C68H45N
• Molecular Weight: 876.12 g/mol
• Exact Mass: 875.36
• IUPAC Name: N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C68H45N/c1-4-21-46(22-5-1)47-39-41-48(42-40-47)52-27-14-19-37-64(52)69(51-43-44-62-57(45-51)55-30-12-15-32-58(55)67(62,49-23-6-2-7-24-49)50-25-8-3-9-26-50)65-38-20-36-63-66(65)56-31-13-18-35-61(56)68(63)59-33-16-10-28-53(59)54-29-11-17-34-60(54)68/h1-45H
• InChIKey: UGOYRIWOXQBDQT-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.12
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121423691) is N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

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

The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.

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

The InChIKey is UGOYRIWOXQBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-4-21-46(22-5-1)47-39-41-48(42-40-47)52-27-14-19-37-64(52)69(51-43-44-62-57(45-51)55-30-12-15-32-58(55)67(62,49-23-6-2-7-24-49)50-25-8-3-9-26-50)65-38-20-36-63-66(65)56-31-13-18-35-61(56)68(63)59-33-16-10-28-53(59)54-29-11-17-34-60(54)68/h1-45H.

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

N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 876.12 g/mol, XLogP of 17.20, 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-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121423691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).