3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine

C58H35N3OSe — CID 171416752

About 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine

3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine (PubChem CID 171416752) has the molecular formula C58H35N3OSe and a molecular weight of 868.90 g/mol. Its IUPAC name is 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine
• PubChem CID: 171416752
• Molecular Formula: C58H35N3OSe
• Molecular Weight: 868.90 g/mol
• Exact Mass: 869.19
• IUPAC Name: 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine
• SMILES: c1ccc(N(c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c2)c2ccc3c4cccc5c6cccc7[se]c8cccc(c8c76)n(c3c2)c54)cc1
• InChI: InChI=1S/C58H35N3OSe/c1-2-15-37(16-3-1)59(40-29-31-43-47-22-10-23-48-46-21-11-27-54-56(46)57-50(25-12-28-55(57)63-54)61(58(47)48)51(43)34-40)38-17-9-18-39(33-38)60(49-24-8-14-36-13-4-5-19-42(36)49)41-30-32-45-44-20-6-7-26-52(44)62-53(45)35-41/h1-35H
• InChIKey: CFUTTWKZICXAOM-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 24.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.90
LogP ≤ 5	16.19
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-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine (CID 171416752) is 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine is c1ccc(N(c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)c2)c2ccc3c4cccc5c6cccc7[se]c8cccc(c8c76)n(c3c2)c54)cc1.

What is the InChIKey of 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine?

The InChIKey is CFUTTWKZICXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3OSe/c1-2-15-37(16-3-1)59(40-29-31-43-47-22-10-23-48-46-21-11-27-54-56(46)57-50(25-12-28-55(57)63-54)61(58(47)48)51(43)34-40)38-17-9-18-39(33-38)60(49-24-8-14-36-13-4-5-19-42(36)49)41-30-32-45-44-20-6-7-26-52(44)62-53(45)35-41/h1-35H.

What are the key properties of 3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine?

3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine has a molecular weight of 868.90 g/mol, XLogP of 16.19, 6 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-3-N-naphthalen-1-yl-1-N-phenyl-1-N-(26-selena-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8(13),9,11,15(20),16,18,21,23-dodecaen-17-yl)benzene-1,3-diamine is sourced from PubChem (CID 171416752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).