13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

C68H41N3O4 — CID 146375962

IUPAC13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
SMILESCc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6cccc(C)c6)c6cccc7c6oc6ccccc67)cc6c7ccccc7oc6c5n3c24)c1
InChIInChI=1S/C68H41N3O4/c1-38-16-11-18-40(34-38)69(52-28-14-24-46-42-20-3-7-30-56(42)72-65(46)52)54-36-50-44-22-5-9-32-58(44)74-67(50)63-60(54)48-26-13-27-49-61-55(37-51-45-23-6-10-33-59(45)75-68(51)64(61)71(63)62(48)49)70(41-19-12-17-39(2)35-41)53-29-15-25-47-43-21-4-8-31-57(43)73-66(47)53/h3-37H,1-2H3
InChIKeyHUUZOJOGQLXGQK-UHFFFAOYSA-N
MW964.09 g/mol
LogP19.99
Rot. Bonds6

About 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (PubChem CID 146375962) has the molecular formula C68H41N3O4 and a molecular weight of 964.09 g/mol. Its IUPAC name is 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

Molecular Properties

Compound Name13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
PubChem CID146375962
Molecular FormulaC68H41N3O4
Molecular Weight964.09 g/mol
Exact Mass963.31
IUPAC Name13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
SMILESCc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6cccc(C)c6)c6cccc7c6oc6ccccc67)cc6c7ccccc7oc6c5n3c24)c1
InChIInChI=1S/C68H41N3O4/c1-38-16-11-18-40(34-38)69(52-28-14-24-46-42-20-3-7-30-56(42)72-65(46)52)54-36-50-44-22-5-9-32-58(44)74-67(50)63-60(54)48-26-13-27-49-61-55(37-51-45-23-6-10-33-59(45)75-68(51)64(61)71(63)62(48)49)70(41-19-12-17-39(2)35-41)53-29-15-25-47-43-21-4-8-31-57(43)73-66(47)53/h3-37H,1-2H3
InChIKeyHUUZOJOGQLXGQK-UHFFFAOYSA-N
XLogP19.99
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.09
LogP ≤ 519.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine with MolForge

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Related Compounds

13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376635
13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N,23-triphenyl-4-oxa-1-azaheptacyclo[13.10.1.02,14.03,11.05,10.019,26.020,25]hexacosa-2,5,7,9,11,13,15,17,19(26),20(25),21,23-dodecaene-13,21-diamine
CID 163947940
13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376626
13-N,21-N-bis(2,4-diphenylphenyl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146375950
10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,14-diamine
CID 90263438
21-N-(5a,9a-dihydrodibenzofuran-4-yl)-13-N-dibenzofuran-4-yl-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 167065669
13-N,21-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376636
13-N,21-N-bis(9,9-dimethylfluoren-3-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146376639
4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159039636
10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(3-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(4-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
CID 158933266
13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methyl-5-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-propan-2-yldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 158015007
18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163659368

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The IUPAC name of 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (CID 146375962) is 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.
What is the SMILES notation for 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The canonical SMILES for 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is Cc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6cccc(C)c6)c6cccc7c6oc6ccccc67)cc6c7ccccc7oc6c5n3c24)c1.
What is the InChIKey of 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
The InChIKey is HUUZOJOGQLXGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3O4/c1-38-16-11-18-40(34-38)69(52-28-14-24-46-42-20-3-7-30-56(42)72-65(46)52)54-36-50-44-22-5-9-32-58(44)74-67(50)63-60(54)48-26-13-27-49-61-55(37-51-45-23-6-10-33-59(45)75-68(51)64(61)71(63)62(48)49)70(41-19-12-17-39(2)35-41)53-29-15-25-47-43-21-4-8-31-57(43)73-66(47)53/h3-37H,1-2H3.
What are the key properties of 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?
13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine has a molecular weight of 964.09 g/mol, XLogP of 19.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is sourced from PubChem (CID 146375962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).