N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine

C61H38N2O — CID 135166374

About N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine

N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine (PubChem CID 135166374) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine
• PubChem CID: 135166374
• Molecular Formula: C61H38N2O
• Molecular Weight: 814.99 g/mol
• Exact Mass: 814.30
• IUPAC Name: N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C61H38N2O/c1-2-19-39(20-3-1)40-21-4-5-22-41(40)42-23-7-12-33-52(42)62(56-37-17-28-46-44-25-9-15-38-57(44)64-60(46)56)55-36-18-31-50-58(55)47-26-6-10-29-48(47)61(50)49-30-11-14-35-54(49)63-53-34-13-8-24-43(53)45-27-16-32-51(61)59(45)63/h1-38H
• InChIKey: ZPXKULVOOCGKAK-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.99
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine (CID 135166374) is N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine?

The InChIKey is ZPXKULVOOCGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-2-19-39(20-3-1)40-21-4-5-22-41(40)42-23-7-12-33-52(42)62(56-37-17-28-46-44-25-9-15-38-57(44)64-60(46)56)55-36-18-31-50-58(55)47-26-6-10-29-48(47)61(50)49-30-11-14-35-54(49)63-53-34-13-8-24-43(53)45-27-16-32-51(61)59(45)63/h1-38H.

What are the key properties of N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine?

N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine has a molecular weight of 814.99 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-[2-(2-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]-4'-amine is sourced from PubChem (CID 135166374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).