N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine

C66H43NO2 — CID 135229908

About N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine (PubChem CID 135229908) has the molecular formula C66H43NO2 and a molecular weight of 882.08 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine
• PubChem CID: 135229908
• Molecular Formula: C66H43NO2
• Molecular Weight: 882.08 g/mol
• Exact Mass: 881.33
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc4oc5ccccc5c34)ccc21
• InChI: InChI=1S/C66H43NO2/c1-65(2)53-21-10-7-18-48(53)52-39-45(33-37-54(52)65)67(59-23-13-25-61-62(59)50-20-9-12-24-60(50)68-61)44-31-26-40(27-32-44)43-30-34-56-51(38-43)49-19-8-11-22-55(49)66(56)57-35-28-41-14-3-5-16-46(41)63(57)69-64-47-17-6-4-15-42(47)29-36-58(64)66/h3-39H,1-2H3
• InChIKey: MXQNVOIVSLHQAQ-UHFFFAOYSA-N
• XLogP: 17.80
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.08
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine (CID 135229908) is N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3cccc4oc5ccccc5c34)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine?

The InChIKey is MXQNVOIVSLHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO2/c1-65(2)53-21-10-7-18-48(53)52-39-45(33-37-54(52)65)67(59-23-13-25-61-62(59)50-20-9-12-24-60(50)68-61)44-31-26-40(27-32-44)43-30-34-56-51(38-43)49-19-8-11-22-55(49)66(56)57-35-28-41-14-3-5-16-46(41)63(57)69-64-47-17-6-4-15-42(47)29-36-58(64)66/h3-39H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine?

N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine has a molecular weight of 882.08 g/mol, XLogP of 17.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-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]-3'-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 135229908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).