5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine

C70H43N3O2 — CID 156626008

IUPAC5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5cc6c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8c(-c%10c([2H])c([2H])c([2H])c([2H])c%10[2H])cccc89)cc7n7c8ccccc8c(c5c4)c67)ccc23)c([2H])c1[2H]
InChIInChI=1S/C70H43N3O2/c1-5-17-44(18-6-1)53-26-15-28-58-56-37-34-51(42-65(56)74-69(53)58)71(47-21-9-3-10-22-47)49-32-31-46-39-62-55-36-33-50(41-64(55)73-63-30-14-13-25-60(63)67(68(62)73)61(46)40-49)72(48-23-11-4-12-24-48)52-35-38-57-59-29-16-27-54(45-19-7-2-8-20-45)70(59)75-66(57)43-52/h1-43H/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D
InChIKeyZYSVLQVGQDLRGA-TZAYFOPYSA-N
MW968.19 g/mol
LogP20.06
Rot. Bonds8

About 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine

5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine (PubChem CID 156626008) has the molecular formula C70H43N3O2 and a molecular weight of 968.19 g/mol. Its IUPAC name is 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
PubChem CID156626008
Molecular FormulaC70H43N3O2
Molecular Weight968.19 g/mol
Exact Mass967.40
IUPAC Name5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5cc6c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8c(-c%10c([2H])c([2H])c([2H])c([2H])c%10[2H])cccc89)cc7n7c8ccccc8c(c5c4)c67)ccc23)c([2H])c1[2H]
InChIInChI=1S/C70H43N3O2/c1-5-17-44(18-6-1)53-26-15-28-58-56-37-34-51(42-65(56)74-69(53)58)71(47-21-9-3-10-22-47)49-32-31-46-39-62-55-36-33-50(41-64(55)73-63-30-14-13-25-60(63)67(68(62)73)61(46)40-49)72(48-23-11-4-12-24-48)52-35-38-57-59-29-16-27-54(45-19-7-2-8-20-45)70(59)75-66(57)43-52/h1-43H/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D
InChIKeyZYSVLQVGQDLRGA-TZAYFOPYSA-N
XLogP20.06
TPSA37.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.19
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine with MolForge

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Related Compounds

5-N-(6-methyldibenzofuran-3-yl)-5-N,18-N-diphenyl-18-N-(6-trimethylsilyldibenzofuran-3-yl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine
CID 160990023
12-N,22-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-12-N,22-N-diphenyl-9-oxa-1-azaheptacyclo[13.10.1.02,10.03,8.011,26.016,25.019,24]hexacosa-2(10),3,5,7,11,13,15(26),16(25),17,19(24),20,22-dodecaene-12,22-diamine
CID 166048758
7-N,20-N-bis(3-methylphenyl)-7-N,20-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine
CID 156626056
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-3-amine
CID 168804855
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-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118179975
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-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-amine
CID 118186890
N-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)-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-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-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-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-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-amine
CID 160891251
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)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-triphenylsilylphenyl)aniline;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)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-triphenylsilylphenyl)aniline;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-(4-triphenylsilylphenyl)dibenzofuran-3-amine
CID 162031304
6-phenyl-N-(4-phenylnaphthalen-1-yl)-N-[2,3,5,6-tetradeuterio-4-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzofuran-3-amine
CID 177287422
6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 177286252
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-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 170280138

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?
The IUPAC name of 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine (CID 156626008) is 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine is [2H]c1c([2H])c([2H])c(-c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5cc6c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8c(-c%10c([2H])c([2H])c([2H])c([2H])c%10[2H])cccc89)cc7n7c8ccccc8c(c5c4)c67)ccc23)c([2H])c1[2H].
What is the InChIKey of 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?
The InChIKey is ZYSVLQVGQDLRGA-TZAYFOPYSA-N. The full InChI is InChI=1S/C70H43N3O2/c1-5-17-44(18-6-1)53-26-15-28-58-56-37-34-51(42-65(56)74-69(53)58)71(47-21-9-3-10-22-47)49-32-31-46-39-62-55-36-33-50(41-64(55)73-63-30-14-13-25-60(63)67(68(62)73)61(46)40-49)72(48-23-11-4-12-24-48)52-35-38-57-59-29-16-27-54(45-19-7-2-8-20-45)70(59)75-66(57)43-52/h1-43H/i1D,2D,5D,6D,7D,8D,17D,18D,19D,20D.
What are the key properties of 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine?
5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine has a molecular weight of 968.19 g/mol, XLogP of 20.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-5-N,18-N-diphenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine is sourced from PubChem (CID 156626008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).