2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline

C67H44N2 — CID 135166917

About 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline

2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 135166917) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
• PubChem CID: 135166917
• Molecular Formula: C67H44N2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.35
• IUPAC Name: 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)c2ccccc2-c2ccccc2)cc1
• InChI: InChI=1S/C67H44N2/c1-3-20-46(21-4-1)50-24-7-8-26-52(50)55-28-11-16-35-63(55)68(62-34-15-10-25-51(62)47-22-5-2-6-23-47)49-41-38-45(39-42-49)48-40-43-54-53-27-9-13-31-58(53)67(61(54)44-48)59-32-14-18-37-65(59)69-64-36-17-12-29-56(64)57-30-19-33-60(67)66(57)69/h1-44H
• InChIKey: LLKHLFDSMQYSDZ-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.10
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline?

The IUPAC name of 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline (CID 135166917) is 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline.

What is the SMILES notation for 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline?

The canonical SMILES for 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)c2ccccc2-c2ccccc2)cc1.

What is the InChIKey of 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline?

The InChIKey is LLKHLFDSMQYSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-3-20-46(21-4-1)50-24-7-8-26-52(50)55-28-11-16-35-63(55)68(62-34-15-10-25-51(62)47-22-5-2-6-23-47)49-41-38-45(39-42-49)48-40-43-54-53-27-9-13-31-58(53)67(61(54)44-48)59-32-14-18-37-65(59)69-64-36-17-12-29-56(64)57-30-19-33-60(67)66(57)69/h1-44H.

What are the key properties of 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline?

2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 877.10 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 135166917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).