N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine

C82H51NO2 — CID 135229888

About N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine

N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine (PubChem CID 135229888) has the molecular formula C82H51NO2 and a molecular weight of 1082.32 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
• PubChem CID: 135229888
• Molecular Formula: C82H51NO2
• Molecular Weight: 1082.32 g/mol
• Exact Mass: 1081.39
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cccc32)cc1
• InChI: InChI=1S/C82H51NO2/c1-3-20-58(21-4-1)81(59-22-5-2-6-23-59)70-30-15-12-28-68(70)78-71(81)31-17-32-75(78)83(61-44-36-53(37-45-61)57-39-47-67-66-27-13-16-33-76(66)84-77(67)51-57)60-42-34-52(35-43-60)56-38-46-65-64-26-11-14-29-69(64)82(74(65)50-56)72-48-40-54-18-7-9-24-62(54)79(72)85-80-63-25-10-8-19-55(63)41-49-73(80)82/h1-51H
• InChIKey: TXKXIQCQCPIMSD-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.32
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine (CID 135229888) is N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

The InChIKey is TXKXIQCQCPIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H51NO2/c1-3-20-58(21-4-1)81(59-22-5-2-6-23-59)70-30-15-12-28-68(70)78-71(81)31-17-32-75(78)83(61-44-36-53(37-45-61)57-39-47-67-66-27-13-16-33-76(66)84-77(67)51-57)60-42-34-52(35-43-60)56-38-46-65-64-26-11-14-29-69(64)82(74(65)50-56)72-48-40-54-18-7-9-24-62(54)79(72)85-80-63-25-10-8-19-55(63)41-49-73(80)82/h1-51H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine?

N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine has a molecular weight of 1082.32 g/mol, XLogP of 21.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 135229888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).