N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine

C67H40N2O — CID 169023369

About N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine

N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine (PubChem CID 169023369) has the molecular formula C67H40N2O and a molecular weight of 889.07 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
• PubChem CID: 169023369
• Molecular Formula: C67H40N2O
• Molecular Weight: 889.07 g/mol
• Exact Mass: 888.31
• IUPAC Name: N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc4c(c3)-n3c5ccccc5c5ccc6c(c53)-c3c-4cccc3C63c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C67H40N2O/c1-3-17-41(18-4-1)45-25-16-31-59(63(45)42-19-5-2-6-20-42)68(43-34-38-62-53(39-43)50-24-10-14-32-61(50)70-62)44-33-35-49-51-26-15-29-56-64(51)65-57(67(56)54-27-11-7-21-46(54)47-22-8-12-28-55(47)67)37-36-52-48-23-9-13-30-58(48)69(66(52)65)60(49)40-44/h1-40H
• InChIKey: LEQLRWYDJBEHNX-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.07
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine?

The IUPAC name of N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine (CID 169023369) is N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine.

What is the SMILES notation for N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine?

The canonical SMILES for N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-n3c5ccccc5c5ccc6c(c53)-c3c-4cccc3C63c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)c2-c2ccccc2)cc1.

What is the InChIKey of N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine?

The InChIKey is LEQLRWYDJBEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N2O/c1-3-17-41(18-4-1)45-25-16-31-59(63(45)42-19-5-2-6-20-42)68(43-34-38-62-53(39-43)50-24-10-14-32-61(50)70-62)44-33-35-49-51-26-15-29-56-64(51)65-57(67(56)54-27-11-7-21-46(54)47-22-8-12-28-55(47)67)37-36-52-48-23-9-13-30-58(48)69(66(52)65)60(49)40-44/h1-40H.

What are the key properties of N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine?

N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine has a molecular weight of 889.07 g/mol, XLogP of 17.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine is sourced from PubChem (CID 169023369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).