N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine

C48H28N2OSe — CID 171416797

IUPACN-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1
InChIInChI=1S/C48H28N2OSe/c1-2-11-29(12-3-1)30-13-8-14-31(25-30)49(32-23-24-43-39(26-32)35-16-5-7-21-42(35)51-43)33-27-41-47-45(28-33)52-44-22-10-17-36(46(44)47)38-19-9-18-37-34-15-4-6-20-40(34)50(41)48(37)38/h1-28H
InChIKeyOXWJUQAIBQCPRR-UHFFFAOYSA-N
MW727.73 g/mol
LogP13.24
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine

N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine (PubChem CID 171416797) has the molecular formula C48H28N2OSe and a molecular weight of 727.73 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine
PubChem CID171416797
Molecular FormulaC48H28N2OSe
Molecular Weight727.73 g/mol
Exact Mass728.14
IUPAC NameN-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine
SMILESc1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1
InChIInChI=1S/C48H28N2OSe/c1-2-11-29(12-3-1)30-13-8-14-31(25-30)49(32-23-24-43-39(26-32)35-16-5-7-21-42(35)51-43)33-27-41-47-45(28-33)52-44-22-10-17-36(46(44)47)38-19-9-18-37-34-15-4-6-20-40(34)50(41)48(37)38/h1-28H
InChIKeyOXWJUQAIBQCPRR-UHFFFAOYSA-N
XLogP13.24
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.73
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine with MolForge

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Related Compounds

N,N-diphenyl-23-[3-(N-phenylanilino)phenyl]-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-11-amine
CID 171416696
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
N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-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-11-amine
CID 171416682
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-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-amine
CID 171416699
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
N-[3-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 154936811
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280230
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 118179965
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 146527434
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 157443033

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine (CID 171416797) is N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine is c1ccc(-c2cccc(N(c3ccc4oc5ccccc5c4c3)c3cc4[se]c5cccc6c7cccc8c9ccccc9n(c(c3)c4c56)c78)c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine?
The InChIKey is OXWJUQAIBQCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OSe/c1-2-11-29(12-3-1)30-13-8-14-31(25-30)49(32-23-24-43-39(26-32)35-16-5-7-21-42(35)51-43)33-27-41-47-45(28-33)52-44-22-10-17-36(46(44)47)38-19-9-18-37-34-15-4-6-20-40(34)50(41)48(37)38/h1-28H.
What are the key properties of N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine?
N-dibenzofuran-2-yl-N-(3-phenylphenyl)-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-11-amine has a molecular weight of 727.73 g/mol, XLogP of 13.24, 4 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-(3-phenylphenyl)-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-11-amine is sourced from PubChem (CID 171416797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).