N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine

C70H41NO2 — CID 135229431

About N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine

N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine (PubChem CID 135229431) has the molecular formula C70H41NO2 and a molecular weight of 928.10 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine
• PubChem CID: 135229431
• Molecular Formula: C70H41NO2
• Molecular Weight: 928.10 g/mol
• Exact Mass: 927.31
• IUPAC Name: N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c3ccc4c(c3)oc3ccccc34)ccc21
• InChI: InChI=1S/C70H41NO2/c1-3-17-47-42(15-1)29-36-62-67(47)73-68-48-18-4-2-16-43(48)30-37-63(68)70(62)59-26-12-7-21-51(59)53-34-31-45(40-64(53)70)71(46-32-35-55-54-23-9-14-28-65(54)72-66(55)41-46)44-33-38-61-56(39-44)52-22-8-13-27-60(52)69(61)57-24-10-5-19-49(57)50-20-6-11-25-58(50)69/h1-41H
• InChIKey: GCWMPVBMJCGFCG-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.10
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine (CID 135229431) is N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccc5ccccc5c4Oc4c3ccc3ccccc43)c3ccc4c(c3)oc3ccccc34)ccc21.

What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine?

The InChIKey is GCWMPVBMJCGFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41NO2/c1-3-17-47-42(15-1)29-36-62-67(47)73-68-48-18-4-2-16-43(48)30-37-63(68)70(62)59-26-12-7-21-51(59)53-34-31-45(40-64(53)70)71(46-32-35-55-54-23-9-14-28-65(54)72-66(55)41-46)44-33-38-61-56(39-44)52-22-8-13-27-60(52)69(61)57-24-10-5-19-49(57)50-20-6-11-25-58(50)69/h1-41H.

What are the key properties of N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine?

N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine has a molecular weight of 928.10 g/mol, XLogP of 18.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine is sourced from PubChem (CID 135229431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).