10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine

C74H54N4O2 — CID 167105186

IUPAC10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc3c4c5c6cc(C(C)(C)C)ccc6n6c7cc(N(c8ccccc8)c8cccc9c8oc8ccccc89)ccc7c(cc4n2c31)c56
InChIInChI=1S/C74H54N4O2/c1-73(2,3)43-31-36-57-55(39-43)67-59(76(46-21-11-8-12-22-46)61-28-18-26-52-50-24-14-16-30-65(50)80-72(52)61)38-35-53-66-63(78(57)69(53)67)42-54-48-34-33-47(41-62(48)77-58-37-32-44(74(4,5)6)40-56(58)68(66)70(54)77)75(45-19-9-7-10-20-45)60-27-17-25-51-49-23-13-15-29-64(49)79-71(51)60/h7-42H,1-6H3
InChIKeyRCTYLDXILNMZCU-UHFFFAOYSA-N
MW1031.27 g/mol
LogP21.32
Rot. Bonds6

About 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine

10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine (PubChem CID 167105186) has the molecular formula C74H54N4O2 and a molecular weight of 1031.27 g/mol. Its IUPAC name is 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine.

Molecular Properties

Compound Name10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
PubChem CID167105186
Molecular FormulaC74H54N4O2
Molecular Weight1031.27 g/mol
Exact Mass1030.42
IUPAC Name10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc3c4c5c6cc(C(C)(C)C)ccc6n6c7cc(N(c8ccccc8)c8cccc9c8oc8ccccc89)ccc7c(cc4n2c31)c56
InChIInChI=1S/C74H54N4O2/c1-73(2,3)43-31-36-57-55(39-43)67-59(76(46-21-11-8-12-22-46)61-28-18-26-52-50-24-14-16-30-65(50)80-72(52)61)38-35-53-66-63(78(57)69(53)67)42-54-48-34-33-47(41-62(48)77-58-37-32-44(74(4,5)6)40-56(58)68(66)70(54)77)75(45-19-9-7-10-20-45)60-27-17-25-51-49-23-13-15-29-64(49)79-71(51)60/h7-42H,1-6H3
InChIKeyRCTYLDXILNMZCU-UHFFFAOYSA-N
XLogP21.32
TPSA41.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.27
LogP ≤ 521.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine with MolForge

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Related Compounds

10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
CID 167105305
9,24-ditert-butyl-13-N,28-N-di(dibenzofuran-3-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343468
20,28-ditert-butyl-N-(20,28-ditert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-yl)-N-phenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-amine
CID 167105184
14,24,29-tritert-butyl-N-(6-tert-butyldibenzofuran-4-yl)-N-phenyl-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-pentadecaen-8-amine
CID 138745392
9,24-ditert-butyl-15-N,15-N,30-N,30-N-tetraphenyl-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-15,30-diamine
CID 167343573
N,N-diphenyl-4-oxa-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.05,10.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),5,7,9,12,16,18,20,22(38),23(36),24(39),25,27,29,31,33-octadecaen-27-amine
CID 167104930
18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine
CID 157092055
14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-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-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-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-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-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-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-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-pentadecaen-8-amine
CID 165010616
14,24,29-tritert-butyl-N-dibenzofuran-2-yl-N-phenyl-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-pentadecaen-8-amine
CID 138746140
26-tert-butyl-10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-diphenyl-13-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7(12),8,10,15,17,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 164840283
8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(3-phenylphenyl)-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-8,23-diamine;8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(4-phenylphenyl)-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-8,23-diamine
CID 160831609
9,24-ditert-butyl-13-N,28-N-di(dibenzofuran-3-yl)-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 164841454

Frequently Asked Questions

What is the IUPAC name of 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?
The IUPAC name of 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine (CID 167105186) is 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine.
What is the SMILES notation for 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?
The canonical SMILES for 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine is CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc3c4c5c6cc(C(C)(C)C)ccc6n6c7cc(N(c8ccccc8)c8cccc9c8oc8ccccc89)ccc7c(cc4n2c31)c56.
What is the InChIKey of 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?
The InChIKey is RCTYLDXILNMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4O2/c1-73(2,3)43-31-36-57-55(39-43)67-59(76(46-21-11-8-12-22-46)61-28-18-26-52-50-24-14-16-30-65(50)80-72(52)61)38-35-53-66-63(78(57)69(53)67)42-54-48-34-33-47(41-62(48)77-58-37-32-44(74(4,5)6)40-56(58)68(66)70(54)77)75(45-19-9-7-10-20-45)60-27-17-25-51-49-23-13-15-29-64(49)79-71(51)60/h7-42H,1-6H3.
What are the key properties of 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?
10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine has a molecular weight of 1031.27 g/mol, XLogP of 21.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,28-ditert-butyl-6-N,21-N-di(dibenzofuran-4-yl)-6-N,21-N-diphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine is sourced from PubChem (CID 167105186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).