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

C67H42N2O — CID 135166459

About N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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 135166459) has the molecular formula C67H42N2O and a molecular weight of 891.09 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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: 135166459
• Molecular Formula: C67H42N2O
• Molecular Weight: 891.09 g/mol
• Exact Mass: 890.33
• IUPAC Name: N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C67H42N2O/c1-2-17-43(18-3-1)44-33-35-45(36-34-44)48-19-5-11-28-60(48)68(61-29-12-6-20-49(61)46-37-40-65-55(41-46)53-23-8-15-32-64(53)70-65)47-38-39-51-50-21-4-9-25-56(50)67(59(51)42-47)57-26-10-14-31-63(57)69-62-30-13-7-22-52(62)54-24-16-27-58(67)66(54)69/h1-42H
• InChIKey: MXNMGRBKYLJHDX-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.09
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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 135166459) is N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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 MXNMGRBKYLJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O/c1-2-17-43(18-3-1)44-33-35-45(36-34-44)48-19-5-11-28-60(48)68(61-29-12-6-20-49(61)46-37-40-65-55(41-46)53-23-8-15-32-64(53)70-65)47-38-39-51-50-21-4-9-25-56(50)67(59(51)42-47)57-26-10-14-31-63(57)69-62-30-13-7-22-52(62)54-24-16-27-58(67)66(54)69/h1-42H.

What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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-2-ylphenyl)-N-[2-(4-phenylphenyl)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 891.09 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)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 135166459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).