N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine

C80H50N2O — CID 135168605

About N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine (PubChem CID 135168605) has the molecular formula C80H50N2O and a molecular weight of 1055.29 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine
• PubChem CID: 135168605
• Molecular Formula: C80H50N2O
• Molecular Weight: 1055.29 g/mol
• Exact Mass: 1054.39
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1
• InChI: InChI=1S/C80H50N2O/c1-3-20-54(21-4-1)79(55-22-5-2-6-23-55)67-32-12-8-27-65(67)76-69(79)34-19-38-74(76)81(57-47-42-52(43-48-57)58-28-17-30-64-62-26-10-16-39-75(62)83-78(58)64)56-45-40-51(41-46-56)53-44-49-60-59-24-7-11-31-66(59)80(71(60)50-53)68-33-13-15-37-73(68)82-72-36-14-9-25-61(72)63-29-18-35-70(80)77(63)82/h1-50H
• InChIKey: XJYBSGKAYVKZDW-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.29
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine (CID 135168605) is N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine?

The InChIKey is XJYBSGKAYVKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N2O/c1-3-20-54(21-4-1)79(55-22-5-2-6-23-55)67-32-12-8-27-65(67)76-69(79)34-19-38-74(76)81(57-47-42-52(43-48-57)58-28-17-30-64-62-26-10-16-39-75(62)83-78(58)64)56-45-40-51(41-46-56)53-44-49-60-59-24-7-11-31-66(59)80(71(60)50-53)68-33-13-15-37-73(68)82-72-36-14-9-25-61(72)63-29-18-35-70(80)77(63)82/h1-50H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine?

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine has a molecular weight of 1055.29 g/mol, XLogP of 20.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-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'-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 135168605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).