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

C73H46N2O — CID 135166911

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

N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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 135166911) has the molecular formula C73H46N2O and a molecular weight of 967.18 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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: N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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: 135166911
• Molecular Formula: C73H46N2O
• Molecular Weight: 967.18 g/mol
• Exact Mass: 966.36
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C73H46N2O/c1-2-18-48(19-3-1)53-20-4-5-21-55(53)58-23-7-12-32-67(58)74(52-43-38-49(39-44-52)54-26-16-28-62-60-25-9-15-35-70(60)76-72(54)62)51-41-36-47(37-42-51)50-40-45-57-56-22-6-10-29-63(56)73(66(57)46-50)64-30-11-14-34-69(64)75-68-33-13-8-24-59(68)61-27-17-31-65(73)71(61)75/h1-46H
• InChIKey: YTBNTGJDUQHZDH-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-4-ylphenyl)-2-(2-phenylphenyl)-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 N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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 135166911) is N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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 N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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 N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.

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

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

N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-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 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-4-ylphenyl)-2-(2-phenylphenyl)-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 135166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).