N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine

C58H44N2O — CID 158198102

About N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine

N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine (PubChem CID 158198102) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
• PubChem CID: 158198102
• Molecular Formula: C58H44N2O
• Molecular Weight: 785.00 g/mol
• Exact Mass: 784.35
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
• SMILES: c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
• InChI: InChI=1S/C58H44N2O/c1-2-14-38(15-3-1)44-18-4-8-24-52(44)59(42-17-12-16-39(33-42)45-21-13-22-48-47-20-6-11-27-55(47)61-57(45)48)43-34-49-46-19-5-9-25-53(46)60-54-26-10-7-23-50(54)58(51(35-43)56(49)60)40-29-36-28-37(31-40)32-41(58)30-36/h1-27,33-37,40-41H,28-32H2
• InChIKey: ULVAFDYVAKMDAB-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.00
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine (CID 158198102) is N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?

The InChIKey is ULVAFDYVAKMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-2-14-38(15-3-1)44-18-4-8-24-52(44)59(42-17-12-16-39(33-42)45-21-13-22-48-47-20-6-11-27-55(47)61-57(45)48)43-34-49-46-19-5-9-25-53(46)60-54-26-10-7-23-50(54)58(51(35-43)56(49)60)40-29-36-28-37(31-40)32-41(58)30-36/h1-27,33-37,40-41H,28-32H2.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine has a molecular weight of 785.00 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine is sourced from PubChem (CID 158198102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).