3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine

C66H41N3OSe — CID 171416671

About 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine

3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine (PubChem CID 171416671) has the molecular formula C66H41N3OSe and a molecular weight of 971.03 g/mol. Its IUPAC name is 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine
• PubChem CID: 171416671
• Molecular Formula: C66H41N3OSe
• Molecular Weight: 971.03 g/mol
• Exact Mass: 971.24
• IUPAC Name: 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine
• SMILES: c1ccc(-c2ccccc2-c2cccc(N(c3cccc(N(c4ccccc4)c4cc5c6cccc7[se]c8cccc(c8c76)n6c7ccccc7c(c4)c56)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
• InChI: InChI=1S/C66H41N3OSe/c1-3-17-42(18-4-1)50-25-7-8-26-51(50)43-19-13-22-45(37-43)68(48-35-36-54-53-28-10-12-32-60(53)70-61(54)41-48)47-24-14-23-46(38-47)67(44-20-5-2-6-21-44)49-39-56-52-27-9-11-30-58(52)69-59-31-16-34-63-65(59)64-55(57(40-49)66(56)69)29-15-33-62(64)71-63/h1-41H
• InChIKey: HQYWVPSFDDDAFN-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 24.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.03
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine (CID 171416671) is 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine is c1ccc(-c2ccccc2-c2cccc(N(c3cccc(N(c4ccccc4)c4cc5c6cccc7[se]c8cccc(c8c76)n6c7ccccc7c(c4)c56)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1.

What is the InChIKey of 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine?

The InChIKey is HQYWVPSFDDDAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3OSe/c1-3-17-42(18-4-1)50-25-7-8-26-51(50)43-19-13-22-45(37-43)68(48-35-36-54-53-28-10-12-32-60(53)70-61(54)41-48)47-24-14-23-46(38-47)67(44-20-5-2-6-21-44)49-39-56-52-27-9-11-30-58(52)69-59-31-16-34-63-65(59)64-55(57(40-49)66(56)69)29-15-33-62(64)71-63/h1-41H.

What are the key properties of 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine?

3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine has a molecular weight of 971.03 g/mol, XLogP of 18.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-3-yl-1-N-phenyl-3-N-[3-(2-phenylphenyl)phenyl]-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-23-yl)benzene-1,3-diamine is sourced from PubChem (CID 171416671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).