N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine

C55H35NO3 — CID 138581336

About N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine

N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine (PubChem CID 138581336) has the molecular formula C55H35NO3 and a molecular weight of 757.89 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine.

Molecular Properties

• Compound Name: N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
• PubChem CID: 138581336
• Molecular Formula: C55H35NO3
• Molecular Weight: 757.89 g/mol
• Exact Mass: 757.26
• IUPAC Name: N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
• SMILES: C1=CCCC(N(c2cccc(-c3cccc4oc5ccccc5c34)c2)c2ccc3c(c2)Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)=C1
• InChI: InChI=1S/C55H35NO3/c1-2-15-35(16-3-1)56(36-17-12-14-34(30-36)38-22-13-27-50-54(38)42-21-7-11-26-48(42)57-50)37-28-29-49-51(31-37)59-52-32-43-41-20-6-10-25-46(41)55(47(43)33-53(52)58-49)44-23-8-4-18-39(44)40-19-5-9-24-45(40)55/h1-2,4-15,17-33H,3,16H2
• InChIKey: IMRZRDYIIZAHQN-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 34.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.89
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine?

The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine (CID 138581336) is N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine.

What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine?

The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine is C1=CCCC(N(c2cccc(-c3cccc4oc5ccccc5c34)c2)c2ccc3c(c2)Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)=C1.

What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine?

The InChIKey is IMRZRDYIIZAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO3/c1-2-15-35(16-3-1)56(36-17-12-14-34(30-36)38-22-13-27-50-54(38)42-21-7-11-26-48(42)57-50)37-28-29-49-51(31-37)59-52-32-43-41-20-6-10-25-46(41)55(47(43)33-53(52)58-49)44-23-8-4-18-39(44)40-19-5-9-24-45(40)55/h1-2,4-15,17-33H,3,16H2.

What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine?

N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine has a molecular weight of 757.89 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine is sourced from PubChem (CID 138581336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).