16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene

C169H110N4O — CID 159122297

About 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene

16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene (PubChem CID 159122297) has the molecular formula C169H110N4O and a molecular weight of 2212.77 g/mol. Its IUPAC name is 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene.

Molecular Properties

• Compound Name: 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene
• PubChem CID: 159122297
• Molecular Formula: C169H110N4O
• Molecular Weight: 2212.77 g/mol
• Exact Mass: 2210.87
• IUPAC Name: 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2c1c1ccccc1c1c4ccccc4c4ccccc4c21)c1ccccc1n3-c1ccccc1.CC1(C)c2cc3c(cc2-c2c1ccc1c2c2ccccc2c2ccc4ccccc4c21)c1ccccc1n3-c1ccccc1.CC1(C)c2cc3c(cc2-c2c1ccc1c4cc5ccccc5cc4c4ccccc4c21)c1ccccc1n3-c1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2cc3c5ccccc5c5c6ccccc6ccc5c3cc24)cc1
• InChI: InChI=1S/3C43H29N.C40H23NO/c1-43(2)36-25-38-34(29-18-12-13-23-37(29)44(38)26-14-4-3-5-15-26)24-35(36)41-40-31-20-9-7-17-28(31)27-16-6-8-19-30(27)39(40)32-21-10-11-22-33(32)42(41)43;1-43(2)37-21-20-32-34-23-27-13-7-6-12-26(27)22-33(34)29-16-8-9-18-31(29)41(32)42(37)36-24-35-30-17-10-11-19-39(30)44(40(35)25-38(36)43)28-14-4-3-5-15-28;1-43(2)36-23-22-33-40-28-15-7-6-12-26(28)20-21-32(40)29-16-8-9-18-31(29)41(33)42(36)35-24-34-30-17-10-11-19-38(30)44(39(34)25-37(35)43)27-13-4-3-5-14-27;1-2-11-25(12-3-1)41-36-17-9-8-15-28(36)33-21-35-34-20-31-30-19-18-24-10-4-5-13-26(24)40(30)29-16-7-6-14-27(29)32(31)22-38(34)42-39(35)23-37(33)41/h3*3-25H,1-2H3;1-23H
• InChIKey: KFVQMZFVFXZDQS-UHFFFAOYSA-N
• XLogP: 46.40
• TPSA: 32.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2212.77
LogP ≤ 5	46.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene?

The IUPAC name of 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene (CID 159122297) is 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene.

What is the SMILES notation for 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene?

The canonical SMILES for 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene is CC1(C)c2cc3c(cc2-c2c1c1ccccc1c1c4ccccc4c4ccccc4c21)c1ccccc1n3-c1ccccc1.CC1(C)c2cc3c(cc2-c2c1ccc1c2c2ccccc2c2ccc4ccccc4c21)c1ccccc1n3-c1ccccc1.CC1(C)c2cc3c(cc2-c2c1ccc1c4cc5ccccc5cc4c4ccccc4c21)c1ccccc1n3-c1ccccc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2cc3c5ccccc5c5c6ccccc6ccc5c3cc24)cc1.

What is the InChIKey of 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene?

The InChIKey is KFVQMZFVFXZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H29N.C40H23NO/c1-43(2)36-25-38-34(29-18-12-13-23-37(29)44(38)26-14-4-3-5-15-26)24-35(36)41-40-31-20-9-7-17-28(31)27-16-6-8-19-30(27)39(40)32-21-10-11-22-33(32)42(41)43;1-43(2)37-21-20-32-34-23-27-13-7-6-12-26(27)22-33(34)29-16-8-9-18-31(29)41(32)42(37)36-24-35-30-17-10-11-19-39(30)44(40(35)25-38(36)43)28-14-4-3-5-15-28;1-43(2)36-23-22-33-40-28-15-7-6-12-26(28)20-21-32(40)29-16-8-9-18-31(29)41(33)42(36)35-24-34-30-17-10-11-19-38(30)44(39(34)25-37(35)43)27-13-4-3-5-14-27;1-2-11-25(12-3-1)41-36-17-9-8-15-28(36)33-21-35-34-20-31-30-19-18-24-10-4-5-13-26(24)40(30)29-16-7-6-14-27(29)32(31)22-38(34)42-39(35)23-37(33)41/h3*3-25H,1-2H3;1-23H.

What are the key properties of 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene?

16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene has a molecular weight of 2212.77 g/mol, XLogP of 46.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.022,27.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21(30),22,24,26,28,31,33,35-heptadecaene;16,16-dimethyl-12-phenyl-12-azanonacyclo[18.16.0.02,17.03,15.05,13.06,11.021,30.023,28.031,36]hexatriaconta-1(20),2(17),3(15),4,6,8,10,13,18,21,23,25,27,29,31,33,35-heptadecaene;23,23-dimethyl-27-phenyl-27-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24(36),25,28,30,32,34-heptadecaene;13-phenyl-17-oxa-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,26.027,36.028,33]hexatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27(36),28,30,32,34-heptadecaene is sourced from PubChem (CID 159122297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).