13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene

C154H90N22 — CID 159886468

About 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene

13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene (PubChem CID 159886468) has the molecular formula C154H90N22 and a molecular weight of 2248.57 g/mol. Its IUPAC name is 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
• PubChem CID: 159886468
• Molecular Formula: C154H90N22
• Molecular Weight: 2248.57 g/mol
• Exact Mass: 2246.77
• IUPAC Name: 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene
• SMILES: c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)c2cccnc2n2c3cccnc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3cc4c5cccnc5n5c6cccnc6nc5c4cc3c3c4c(ccc32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5n(-c5ccccc5)c4cc32)c2cccnc2n2c3cccnc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2cccnc2n2c3cccnc3nc62)cc1
• InChI: InChI=1S/2C41H24N6.2C36H21N5/c1-3-11-25(12-4-1)45-34-17-8-7-15-27(34)28-19-20-29-32-23-33-31(24-36(32)46(38(29)37(28)45)26-13-5-2-6-14-26)30-16-9-22-43-40(30)47-35-18-10-21-42-39(35)44-41(33)47;1-3-11-25(12-4-1)45-34-17-8-7-15-27(34)30-21-31-32-22-33-29(23-36(32)46(38(31)24-37(30)45)26-13-5-2-6-14-26)28-16-9-20-43-40(28)47-35-18-10-19-42-39(35)44-41(33)47;1-2-9-22(10-3-1)40-30-15-14-24-23-11-5-4-8-21(23)18-27(24)33(30)29-19-28-26(20-32(29)40)25-12-6-17-38-35(25)41-31-13-7-16-37-34(31)39-36(28)41;1-2-9-23(10-3-1)40-32-19-26-22(16-21-8-4-5-11-24(21)26)17-28(32)29-18-30-27(20-33(29)40)25-12-6-15-38-35(25)41-31-13-7-14-37-34(31)39-36(30)41/h2*1-24H;1-17,19-20H,18H2;1-15,17-20H,16H2
• InChIKey: NUEVQQCAEGMLSF-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 201.90 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.57
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The IUPAC name of 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene (CID 159886468) is 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The canonical SMILES for 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene is c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)c2cccnc2n2c3cccnc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3cc4c5cccnc5n5c6cccnc6nc5c4cc3c3c4c(ccc32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5n(-c5ccccc5)c4cc32)c2cccnc2n2c3cccnc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2cccnc2n2c3cccnc3nc62)cc1.

What is the InChIKey of 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The InChIKey is NUEVQQCAEGMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H24N6.2C36H21N5/c1-3-11-25(12-4-1)45-34-17-8-7-15-27(34)28-19-20-29-32-23-33-31(24-36(32)46(38(29)37(28)45)26-13-5-2-6-14-26)30-16-9-22-43-40(30)47-35-18-10-21-42-39(35)44-41(33)47;1-3-11-25(12-4-1)45-34-17-8-7-15-27(34)30-21-31-32-22-33-29(23-36(32)46(38(31)24-37(30)45)26-13-5-2-6-14-26)28-16-9-20-43-40(28)47-35-18-10-19-42-39(35)44-41(33)47;1-2-9-22(10-3-1)40-30-15-14-24-23-11-5-4-8-21(23)18-27(24)33(30)29-19-28-26(20-32(29)40)25-12-6-17-38-35(25)41-31-13-7-16-37-34(31)39-36(28)41;1-2-9-23(10-3-1)40-32-19-26-22(16-21-8-4-5-11-24(21)26)17-28(32)29-18-30-27(20-33(29)40)25-12-6-15-38-35(25)41-31-13-7-14-37-34(31)39-36(30)41/h2*1-24H;1-17,19-20H,18H2;1-15,17-20H,16H2.

What are the key properties of 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene?

13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene has a molecular weight of 2248.57 g/mol, XLogP of 36.06, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 13,17-diphenyl-13,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28(33),29,31,34-hexadecaene;14,17-diphenyl-14,17,25,27,32,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(26),22,24,28(33),29,31,34-hexadecaene;17-phenyl-17,25,27,32,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21(26),22,24,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 159886468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).