N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

C57H37NO — CID 135229554

About N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (PubChem CID 135229554) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
• PubChem CID: 135229554
• Molecular Formula: C57H37NO
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.29
• IUPAC Name: N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cc2)cc1
• InChI: InChI=1S/C57H37NO/c1-3-15-38(16-4-1)40-29-33-44(34-30-40)58(45-22-13-21-43(37-45)39-17-5-2-6-18-39)53-28-14-27-50-54(53)48-25-11-12-26-49(48)57(50)51-35-31-41-19-7-9-23-46(41)55(51)59-56-47-24-10-8-20-42(47)32-36-52(56)57/h1-37H
• InChIKey: PWGDKCYYOIDCSS-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (CID 135229554) is N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cc2)cc1.

What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The InChIKey is PWGDKCYYOIDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-3-15-38(16-4-1)40-29-33-44(34-30-40)58(45-22-13-21-43(37-45)39-17-5-2-6-18-39)53-28-14-27-50-54(53)48-25-11-12-26-49(48)57(50)51-35-31-41-19-7-9-23-46(41)55(51)59-56-47-24-10-8-20-42(47)32-36-52(56)57/h1-37H.

What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine has a molecular weight of 751.93 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 135229554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).