9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C62H36N2O2Se2 — CID 155645081

About 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155645081) has the molecular formula C62H36N2O2Se2 and a molecular weight of 998.90 g/mol. Its IUPAC name is 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155645081
• Molecular Formula: C62H36N2O2Se2
• Molecular Weight: 998.90 g/mol
• Exact Mass: 1000.11
• IUPAC Name: 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8[se]c9ccccc9c78)ccc6cc5c3cc24)c2cccc3[se]c4ccccc4c23)cc1
• InChI: InChI=1S/C62H36N2O2Se2/c1-3-13-41(14-4-1)63(51-19-11-23-59-61(51)45-17-7-9-21-57(45)67-59)43-27-25-37-31-47-49-35-50-48-32-38-26-28-44(30-40(38)34-54(48)66-56(50)36-55(49)65-53(47)33-39(37)29-43)64(42-15-5-2-6-16-42)52-20-12-24-60-62(52)46-18-8-10-22-58(46)68-60/h1-36H
• InChIKey: BIMGUOMWGMJUNE-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.90
LogP ≤ 5	17.46
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 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155645081) is 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is c1ccc(N(c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7cccc8[se]c9ccccc9c78)ccc6cc5c3cc24)c2cccc3[se]c4ccccc4c23)cc1.

What is the InChIKey of 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is BIMGUOMWGMJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N2O2Se2/c1-3-13-41(14-4-1)63(51-19-11-23-59-61(51)45-17-7-9-21-57(45)67-59)43-27-25-37-31-47-49-35-50-48-32-38-26-28-44(30-40(38)34-54(48)66-56(50)36-55(49)65-53(47)33-39(37)29-43)64(42-15-5-2-6-16-42)52-20-12-24-60-62(52)46-18-8-10-22-58(46)68-60/h1-36H.

What are the key properties of 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 998.90 g/mol, XLogP of 17.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-di(dibenzoselenophen-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155645081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).