14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene

C149H87N21 — CID 160633247

About 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene

14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene (PubChem CID 160633247) has the molecular formula C149H87N21 and a molecular weight of 2171.48 g/mol. Its IUPAC name is 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene
• PubChem CID: 160633247
• Molecular Formula: C149H87N21
• Molecular Weight: 2171.48 g/mol
• Exact Mass: 2169.75
• IUPAC Name: 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene
• SMILES: c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)c2ccncc2n2c3ncccc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3cc4c5ccncc5n5c6ncccc6nc5c4cc3c3c4c(ccc32)-c2ccccc2C4)cc1.c1ccc(-n2c3cc4c5ccncc5n5c6ncccc6nc5c4cc3c3ccc4c(c32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2ccncc2n2c3ncccc3nc62)cc1
• InChI: InChI=1S/C41H24N6.3C36H21N5/c1-3-10-25(11-4-1)45-35-16-8-7-14-27(35)29-17-18-30-32-22-33-31(23-36(32)46(39(30)38(29)45)26-12-5-2-6-13-26)28-19-21-42-24-37(28)47-40(33)44-34-15-9-20-43-41(34)47;1-2-8-23(9-3-1)40-31-19-27-25-14-16-37-20-32(25)41-35(39-30-11-6-15-38-36(30)41)29(27)18-28(31)26-13-12-22-17-21-7-4-5-10-24(21)33(22)34(26)40;1-2-8-22(9-3-1)40-31-13-12-24-23-10-5-4-7-21(23)17-27(24)34(31)29-18-28-26(19-32(29)40)25-14-16-37-20-33(25)41-35(28)39-30-11-6-15-38-36(30)41;1-2-8-23(9-3-1)40-32-18-26-22(15-21-7-4-5-10-24(21)26)16-28(32)29-17-30-27(19-33(29)40)25-12-14-37-20-34(25)41-35(30)39-31-11-6-13-38-36(31)41/h1-24H;2*1-16,18-20H,17H2;1-14,16-20H,15H2
• InChIKey: RIESITNNDRMLIN-UHFFFAOYSA-N
• XLogP: 34.53
• TPSA: 196.97 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.48
LogP ≤ 5	34.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The IUPAC name of 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene (CID 160633247) is 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The canonical SMILES for 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene is c1ccc(-n2c3cc4c(cc3c3cc5c(cc32)c2ccncc2n2c3ncccc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3cc4c5ccncc5n5c6ncccc6nc5c4cc3c3c4c(ccc32)-c2ccccc2C4)cc1.c1ccc(-n2c3cc4c5ccncc5n5c6ncccc6nc5c4cc3c3ccc4c(c32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2ccncc2n2c3ncccc3nc62)cc1.

What is the InChIKey of 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The InChIKey is RIESITNNDRMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6.3C36H21N5/c1-3-10-25(11-4-1)45-35-16-8-7-14-27(35)29-17-18-30-32-22-33-31(23-36(32)46(39(30)38(29)45)26-12-5-2-6-13-26)28-19-21-42-24-37(28)47-40(33)44-34-15-9-20-43-41(34)47;1-2-8-23(9-3-1)40-31-19-27-25-14-16-37-20-32(25)41-35(39-30-11-6-15-38-36(30)41)29(27)18-28(31)26-13-12-22-17-21-7-4-5-10-24(21)33(22)34(26)40;1-2-8-22(9-3-1)40-31-13-12-24-23-10-5-4-7-21(23)17-27(24)34(31)29-18-28-26(19-32(29)40)25-14-16-37-20-33(25)41-35(28)39-30-11-6-15-38-36(30)41;1-2-8-23(9-3-1)40-32-18-26-22(15-21-7-4-5-10-24(21)26)16-28(32)29-17-30-27(19-33(29)40)25-12-14-37-20-34(25)41-35(30)39-31-11-6-13-38-36(31)41/h1-24H;2*1-16,18-20H,17H2;1-14,16-20H,15H2.

What are the key properties of 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene?

14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene has a molecular weight of 2171.48 g/mol, XLogP of 34.53, 5 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 14,17-diphenyl-14,17,24,27,29,34-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-17,24,27,29,34-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-17,24,27,29,34-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;17-phenyl-17,24,27,29,34-pentazanonacyclo[18.15.0.03,18.04,16.07,15.09,14.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 160633247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).