8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C62H36N2O2Se2 — CID 155644818

IUPAC8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6cccc7c6[se]c6ccccc67)cc5cc4oc32)c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C62H36N2O2Se2/c1-3-13-41(14-4-1)63(53-21-11-19-49-45-17-7-9-23-57(45)67-61(49)53)43-27-25-37-33-51-47-29-30-48-52-34-38-26-28-44(32-40(38)36-56(52)66-60(48)59(47)65-55(51)35-39(37)31-43)64(42-15-5-2-6-16-42)54-22-12-20-50-46-18-8-10-24-58(46)68-62(50)54/h1-36H
InChIKeyJPJSWUOZBKSHQQ-UHFFFAOYSA-N
MW998.90 g/mol
LogP17.46
Rot. Bonds6

About 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155644818) has the molecular formula C62H36N2O2Se2 and a molecular weight of 998.90 g/mol. Its IUPAC name is 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
PubChem CID155644818
Molecular FormulaC62H36N2O2Se2
Molecular Weight998.90 g/mol
Exact Mass1000.11
IUPAC Name8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6cccc7c6[se]c6ccccc67)cc5cc4oc32)c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C62H36N2O2Se2/c1-3-13-41(14-4-1)63(53-21-11-19-49-45-17-7-9-23-57(45)67-61(49)53)43-27-25-37-33-51-47-29-30-48-52-34-38-26-28-44(32-40(38)36-56(52)66-60(48)59(47)65-55(51)35-39(37)31-43)64(42-15-5-2-6-16-42)54-22-12-20-50-46-18-8-10-24-58(46)68-62(50)54/h1-36H
InChIKeyJPJSWUOZBKSHQQ-UHFFFAOYSA-N
XLogP17.46
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.90
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine with MolForge

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Related Compounds

9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
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
N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 171445521
8-N,23-N-di(phenanthren-2-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361439
N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
CID 171445354
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine
CID 59245757
N,N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287
9-N,23-N-di(dibenzofuran-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 155361145
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146497089
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155644818) is 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is c1ccc(N(c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6ccccc6)c6cccc7c6[se]c6ccccc67)cc5cc4oc32)c2cccc3c2[se]c2ccccc23)cc1.
What is the InChIKey of 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
The InChIKey is JPJSWUOZBKSHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N2O2Se2/c1-3-13-41(14-4-1)63(53-21-11-19-49-45-17-7-9-23-57(45)67-61(49)53)43-27-25-37-33-51-47-29-30-48-52-34-38-26-28-44(32-40(38)36-56(52)66-60(48)59(47)65-55(51)35-39(37)31-43)64(42-15-5-2-6-16-42)54-22-12-20-50-46-18-8-10-24-58(46)68-62(50)54/h1-36H.
What are the key properties of 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?
8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-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 8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).