N-(2-dibenzofuran-4-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 135166550

About N-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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 135166550) has the molecular formula C71H44N2O and a molecular weight of 941.15 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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: 135166550
• Molecular Formula: C71H44N2O
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.35
• IUPAC Name: N-(2-dibenzofuran-4-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(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccccc2-c2cccc3c2oc2ccccc23)c1
• InChI: InChI=1S/C71H44N2O/c1-2-22-47-45(20-1)21-17-30-48(47)49-23-3-4-24-50(49)53-26-6-12-37-64(53)72(65-38-13-8-28-55(65)58-32-18-33-59-56-29-9-16-41-68(56)74-70(58)59)46-42-43-52-51-25-5-10-34-60(51)71(63(52)44-46)61-35-11-15-40-67(61)73-66-39-14-7-27-54(66)57-31-19-36-62(71)69(57)73/h1-44H
• InChIKey: MJYCHGQFCSDJOP-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-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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 135166550) is N-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccccc2-c2cccc3c2oc2ccccc23)c1.

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

What are the key properties of N-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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-(2-dibenzofuran-4-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 135166550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).