12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene

C200H117N29 — CID 159890855

IUPAC12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c5c(ccc32)c2nc3ccncc3n2c2cccnc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2ncccc2n2c3cnccc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2ncccc2n2c3cnccc3nc62)cc1
InChIInChI=1S/4C41H24N6.C36H21N5/c1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-30-36-33(46(40(30)39(28)45)26-12-5-2-6-13-26)20-19-29-37(36)41-44-31-21-23-42-24-35(31)47(41)34-16-9-22-43-38(29)34;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-29-36-33(46(40(29)39(28)45)26-12-5-2-6-13-26)20-19-30-37(36)38-34(16-9-22-43-38)47-35-24-42-23-21-31(35)44-41(30)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)40-34(16-9-20-43-40)47-37-24-42-21-19-31(37)44-41(28)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)41-44-31-19-21-42-24-37(31)47(41)34-16-9-20-43-40(28)34;1-2-8-23(9-3-1)40-29-13-12-25-34(33(29)27-18-22-17-21-7-4-5-10-24(21)26(22)19-31(27)40)35-30(11-6-15-38-35)41-32-20-37-16-14-28(32)39-36(25)41/h4*1-24H;1-16,18-20H,17H2
InChIKeyNUSRDOGEFLFYBC-UHFFFAOYSA-N
MW2926.34 g/mol
LogP47.36
Rot. Bonds9

About 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene

12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene (PubChem CID 159890855) has the molecular formula C200H117N29 and a molecular weight of 2926.34 g/mol. Its IUPAC name is 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene.

Molecular Properties

Compound Name12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
PubChem CID159890855
Molecular FormulaC200H117N29
Molecular Weight2926.34 g/mol
Exact Mass2924.00
IUPAC Name12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c5c(ccc32)c2nc3ccncc3n2c2cccnc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2ncccc2n2c3cnccc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2ncccc2n2c3cnccc3nc62)cc1
InChIInChI=1S/4C41H24N6.C36H21N5/c1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-30-36-33(46(40(30)39(28)45)26-12-5-2-6-13-26)20-19-29-37(36)41-44-31-21-23-42-24-35(31)47(41)34-16-9-22-43-38(29)34;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-29-36-33(46(40(29)39(28)45)26-12-5-2-6-13-26)20-19-30-37(36)38-34(16-9-22-43-38)47-35-24-42-23-21-31(35)44-41(30)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)40-34(16-9-20-43-40)47-37-24-42-21-19-31(37)44-41(28)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)41-44-31-19-21-42-24-37(31)47(41)34-16-9-20-43-40(28)34;1-2-8-23(9-3-1)40-29-13-12-25-34(33(29)27-18-22-17-21-7-4-5-10-24(21)26(22)19-31(27)40)35-30(11-6-15-38-35)41-32-20-37-16-14-28(32)39-36(25)41/h4*1-24H;1-16,18-20H,17H2
InChIKeyNUSRDOGEFLFYBC-UHFFFAOYSA-N
XLogP47.36
TPSA259.77 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002926.34
LogP ≤ 547.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The IUPAC name of 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene (CID 159890855) is 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene.
What is the SMILES notation for 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The canonical SMILES for 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene is c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)c2nc3ccncc3n2c2cccnc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2ncccc2n2c3cnccc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2nc3ccncc3n2c2cccnc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2ncccc2n2c3cnccc3nc62)cc1.
What is the InChIKey of 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The InChIKey is NUSRDOGEFLFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C41H24N6.C36H21N5/c1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-30-36-33(46(40(30)39(28)45)26-12-5-2-6-13-26)20-19-29-37(36)41-44-31-21-23-42-24-35(31)47(41)34-16-9-22-43-38(29)34;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)28-17-18-29-36-33(46(40(29)39(28)45)26-12-5-2-6-13-26)20-19-30-37(36)38-34(16-9-22-43-38)47-35-24-42-23-21-31(35)44-41(30)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)40-34(16-9-20-43-40)47-37-24-42-21-19-31(37)44-41(28)47;1-3-10-25(11-4-1)45-32-15-8-7-14-27(32)29-22-30-36(23-35(29)45)46(26-12-5-2-6-13-26)33-18-17-28-39(38(30)33)41-44-31-19-21-42-24-37(31)47(41)34-16-9-20-43-40(28)34;1-2-8-23(9-3-1)40-29-13-12-25-34(33(29)27-18-22-17-21-7-4-5-10-24(21)26(22)19-31(27)40)35-30(11-6-15-38-35)41-32-20-37-16-14-28(32)39-36(25)41/h4*1-24H;1-16,18-20H,17H2.
What are the key properties of 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene?
12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene has a molecular weight of 2926.34 g/mol, XLogP of 47.36, 9 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16-diphenyl-12,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23(28),24,26,30(35),31,33-hexadecaene;12,16-diphenyl-12,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.05,13.06,11.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;13,16-diphenyl-13,16,22,26,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21,23(28),24,26,30(35),31,33-hexadecaene;13,16-diphenyl-13,16,22,27,30,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),7,9,11,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,22,26,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene is sourced from PubChem (CID 159890855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).