N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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

C73H46N2O — CID 135167045

About N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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

N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 135167045) has the molecular formula C73H46N2O and a molecular weight of 967.18 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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: N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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: 135167045
• Molecular Formula: C73H46N2O
• Molecular Weight: 967.18 g/mol
• Exact Mass: 966.36
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C73H46N2O/c1-2-17-47(18-3-1)48-33-35-50(36-34-48)54-19-5-11-28-66(54)74(53-41-37-49(38-42-53)51-40-44-71-61(45-51)59-23-8-15-32-70(59)76-71)67-29-12-6-20-55(67)52-39-43-57-56-21-4-9-25-62(56)73(65(57)46-52)63-26-10-14-31-69(63)75-68-30-13-7-22-58(68)60-24-16-27-64(73)72(60)75/h1-46H
• InChIKey: QIKVWZNUPYWCNP-UHFFFAOYSA-N
• XLogP: 19.50
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.18
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 135167045) is N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 QIKVWZNUPYWCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2O/c1-2-17-47(18-3-1)48-33-35-50(36-34-48)54-19-5-11-28-66(54)74(53-41-37-49(38-42-53)51-40-44-71-61(45-51)59-23-8-15-32-70(59)76-71)67-29-12-6-20-55(67)52-39-43-57-56-21-4-9-25-62(56)73(65(57)46-52)63-26-10-14-31-69(63)75-68-30-13-7-22-58(68)60-24-16-27-64(73)72(60)75/h1-46H.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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?

N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 967.18 g/mol, XLogP of 19.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-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 135167045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).