N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine

C54H32N4 — CID 167104860

IUPACN,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6cc7c(cc6n6c8ccccc8c(cc4n4c8ccccc8c2c34)c56)c2ccccc2n7-c2ccccc2)cc1
InChIInChI=1S/C54H32N4/c1-4-16-33(17-5-1)55(34-18-6-2-7-19-34)46-29-28-39-50-49(58-45-27-15-12-24-38(45)51(46)53(39)58)31-41-37-23-11-14-26-44(37)57-48-30-40-36-22-10-13-25-43(36)56(35-20-8-3-9-21-35)47(40)32-42(48)52(50)54(41)57/h1-32H
InChIKeyMCDFFFKYKXRISL-UHFFFAOYSA-N
MW736.88 g/mol
LogP14.55
Rot. Bonds4

About N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine

N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine (PubChem CID 167104860) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine.

Molecular Properties

Compound NameN,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine
PubChem CID167104860
Molecular FormulaC54H32N4
Molecular Weight736.88 g/mol
Exact Mass736.26
IUPAC NameN,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6cc7c(cc6n6c8ccccc8c(cc4n4c8ccccc8c2c34)c56)c2ccccc2n7-c2ccccc2)cc1
InChIInChI=1S/C54H32N4/c1-4-16-33(17-5-1)55(34-18-6-2-7-19-34)46-29-28-39-50-49(58-45-27-15-12-24-38(45)51(46)53(39)58)31-41-37-23-11-14-26-44(37)57-48-30-40-36-22-10-13-25-43(36)56(35-20-8-3-9-21-35)47(40)32-42(48)52(50)54(41)57/h1-32H
InChIKeyMCDFFFKYKXRISL-UHFFFAOYSA-N
XLogP14.55
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine with MolForge

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Related Compounds

N,N,8,30-tetraphenyl-5,8,27,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19,21,23(46),25,28(40),29(37),31,33,35,38,41(45),42-henicosaen-20-amine
CID 167343569
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
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
13-N,28-N-bis(3-deuteriophenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841250
13-N,28-N-diphenyl-13-N,28-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506964
N,N,24,29-tetraphenyl-15,20-diazanonacyclo[18.10.1.14,8.02,19.03,16.09,14.021,26.027,31.015,32]dotriaconta-1(30),2(19),3(16),4(32),5,7,9,11,13,17,21(26),22,24,27(31),28-pentadecaen-7-amine
CID 167105094
13-N,28-N-bis(2-methylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138507053
9,15-diphenyl-9,15,26,30-tetrazatridecacyclo[24.18.1.130,37.02,10.03,8.012,45.013,25.014,22.016,21.027,44.029,42.031,36.041,46]hexatetraconta-1(45),2(10),3,5,7,11,13(25),14(22),16,18,20,23,27(44),28,31,33,35,37(46),38,40,42-henicosaene;12,23-diphenyl-1,12,23,41-tetrazatridecacyclo[24.18.1.130,34.02,14.05,13.06,11.015,45.016,24.017,22.027,44.029,42.035,40.041,46]hexatetraconta-2(14),3,5(13),6,8,10,15(45),16(24),17,19,21,25,27(44),28,30,32,34(46),35,37,39,42-henicosaene;13,38-diphenyl-13,23,27,38-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),5(46),6(14),7,9,11,15,17,19,21,25,28(40),29,31(39),32,34,36,41,43-henicosaene;16,30-diphenyl-1,5,16,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.029,37.031,36.038,45.039,44.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27,29(37),31,33,35,38(45),39,41,43-henicosaene;16,34-diphenyl-1,5,16,34-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.031,45.032,44.033,41.035,40.023,46]hexatetraconta-2(26),3,6(18),7,9(17),10,12,14,19,21,23(46),24,27(45),28,30,32(44),33(41),35,37,39,42-henicosaene
CID 163902636
13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;10-N,10-N,25-N,25-N,3,18-hexakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;13-N,13-N,28-N,28-N-tetraphenyl-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 163630567
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
9-phenyl-31-[3-[3-(42-phenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaen-20-yl)phenyl]phenyl]-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene
CID 167304313
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708

Frequently Asked Questions

What is the IUPAC name of N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine?
The IUPAC name of N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine (CID 167104860) is N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine.
What is the SMILES notation for N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine?
The canonical SMILES for N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine is c1ccc(N(c2ccccc2)c2ccc3c4c5c6cc7c(cc6n6c8ccccc8c(cc4n4c8ccccc8c2c34)c56)c2ccccc2n7-c2ccccc2)cc1.
What is the InChIKey of N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine?
The InChIKey is MCDFFFKYKXRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-4-16-33(17-5-1)55(34-18-6-2-7-19-34)46-29-28-39-50-49(58-45-27-15-12-24-38(45)51(46)53(39)58)31-41-37-23-11-14-26-44(37)57-48-30-40-36-22-10-13-25-43(36)56(35-20-8-3-9-21-35)47(40)32-42(48)52(50)54(41)57/h1-32H.
What are the key properties of N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine?
N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine has a molecular weight of 736.88 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-triphenyl-5,15,25-triazaundecacyclo[20.15.1.125,32.02,14.04,12.06,11.015,38.016,21.024,37.026,31.036,39]nonatriaconta-1(38),2(14),3,6,8,10,12,16,18,20,22,24(37),26,28,30,32,34,36(39)-octadecaen-33-amine is sourced from PubChem (CID 167104860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).