N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine

C71H44N2O — CID 135166539

About N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine (PubChem CID 135166539) has the molecular formula C71H44N2O and a molecular weight of 941.15 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine
• PubChem CID: 135166539
• Molecular Formula: C71H44N2O
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.35
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine
• SMILES: c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c1
• InChI: InChI=1S/C71H44N2O/c1-2-20-49-45(18-1)19-15-28-51(49)52-21-3-4-22-53(52)56-24-6-11-33-64(56)72(47-40-38-46(39-41-47)50-27-17-37-68-69(50)59-26-8-14-36-67(59)74-68)48-42-43-55-54-23-5-9-30-60(54)71(63(55)44-48)61-31-10-13-35-66(61)73-65-34-12-7-25-57(65)58-29-16-32-62(71)70(58)73/h1-44H
• InChIKey: HPBJUIOBDWRHBJ-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.15
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine (CID 135166539) is N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine is c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine?

The InChIKey is HPBJUIOBDWRHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2O/c1-2-20-49-45(18-1)19-15-28-51(49)52-21-3-4-22-53(52)56-24-6-11-33-64(56)72(47-40-38-46(39-41-47)50-27-17-37-68-69(50)59-26-8-14-36-67(59)74-68)48-42-43-55-54-23-5-9-30-60(54)71(63(55)44-48)61-31-10-13-35-66(61)73-65-34-12-7-25-57(65)58-29-16-32-62(71)70(58)73/h1-44H.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine has a molecular weight of 941.15 g/mol, XLogP of 18.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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'-amine is sourced from PubChem (CID 135166539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).