12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene

C154H90N22 — CID 158573162

About 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene

12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene (PubChem CID 158573162) has the molecular formula C154H90N22 and a molecular weight of 2248.57 g/mol. Its IUPAC name is 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
• PubChem CID: 158573162
• Molecular Formula: C154H90N22
• Molecular Weight: 2248.57 g/mol
• Exact Mass: 2246.77
• IUPAC Name: 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
• SMILES: c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)c2ccncc2n2c3ncccc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3ccc4c5ccncc5n5c6ncccc6nc5c4c3c3ccc4c(c32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2ccncc2n2c3ncccc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2ccncc2n2c3ncccc3nc62)cc1
• InChI: InChI=1S/2C41H24N6.2C36H21N5/c1-3-10-25(11-4-1)45-33-16-8-7-14-27(33)30-17-18-31-36-34(46(39(31)38(30)45)26-12-5-2-6-13-26)20-19-29-28-21-23-42-24-35(28)47-40-32(15-9-22-43-40)44-41(47)37(29)36;1-3-10-25(11-4-1)45-33-16-8-7-14-27(33)30-22-31-36(23-35(30)45)46(26-12-5-2-6-13-26)34-18-17-29-28-19-21-42-24-37(28)47-40-32(15-9-20-43-40)44-41(47)39(29)38(31)34;1-2-8-23(9-3-1)40-29-15-14-26-25-16-18-37-20-30(25)41-35-28(11-6-17-38-35)39-36(41)33(26)32(29)27-13-12-22-19-21-7-4-5-10-24(21)31(22)34(27)40;1-2-8-23(9-3-1)40-30-13-12-26-25-14-16-37-20-32(25)41-35-29(11-6-15-38-35)39-36(41)34(26)33(30)28-18-22-17-21-7-4-5-10-24(21)27(22)19-31(28)40/h2*1-24H;1-18,20H,19H2;1-16,18-20H,17H2
• InChIKey: HSIGODQSGOPEAO-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 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The IUPAC name of 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene (CID 158573162) is 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The canonical SMILES for 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene is c1ccc(-n2c3cc4c(cc3c3c5c(ccc32)c2ccncc2n2c3ncccc3nc52)Cc2ccccc2-4)cc1.c1ccc(-n2c3ccc4c5ccncc5n5c6ncccc6nc5c4c3c3ccc4c(c32)-c2ccccc2C4)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6c(ccc5n(-c5ccccc5)c4cc32)c2ccncc2n2c3ncccc3nc62)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c32)c2ccncc2n2c3ncccc3nc62)cc1.

What is the InChIKey of 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

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

What are the key properties of 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(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 12,16-diphenyl-12,16,24,27,29,34-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-13,16,24,27,29,34-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-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.05,13.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,7,9,11,13,18,21(26),22,24,28(33),29,31,34-hexadecaene;16-phenyl-16,24,27,29,34-pentazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 158573162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).