5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

C185H163F3N12O+12 — CID 160663778

About 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (PubChem CID 160663778) has the molecular formula C185H163F3N12O+12 and a molecular weight of 2627.42 g/mol. Its IUPAC name is 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.

Molecular Properties

• Compound Name: 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
• PubChem CID: 160663778
• Molecular Formula: C185H163F3N12O+12
• Molecular Weight: 2627.42 g/mol
• Exact Mass: 2625.30
• IUPAC Name: 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
• SMILES: CC1(C)c2c[n+](Cc3ccccc3)ccc2-c2ccc3c[n+](Cc4ccccc4)ccc3c21.Cc1cc2c(c[n+]1-c1ccccc1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3)ccc12.Cc1ccc(-[n+]2ccc3c(c2)C(C)(C)c2c-3ccc3c[n+](-c4ccc(C)cc4)ccc23)cc1.Cc1ccccc1-[n+]1ccc2c(c1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3C)ccc12.Cc1ccccc1-[n+]1ccc2c(c1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3C)ccc12.Cc1ccccc1-[n+]1ccc2c3c(ccc2c1)-c1cc[n+](-c2ccccc2OC(F)(F)F)cc1C3(C)C
• InChI: InChI=1S/C31H25F3N2O.4C31H28N2.C30H26N2/c1-20-8-4-5-9-26(20)35-16-14-22-21(18-35)12-13-24-23-15-17-36(19-25(23)30(2,3)29(22)24)27-10-6-7-11-28(27)37-31(32,33)34;1-21-5-10-24(11-6-21)32-17-15-26-23(19-32)9-14-28-27-16-18-33(25-12-7-22(2)8-13-25)20-29(27)31(3,4)30(26)28;2*1-21-9-5-7-11-28(21)32-17-15-24-23(19-32)13-14-26-25-16-18-33(29-12-8-6-10-22(29)2)20-27(25)31(3,4)30(24)26;1-31(2)29-22-33(20-24-11-7-4-8-12-24)18-16-27(29)28-14-13-25-21-32(17-15-26(25)30(28)31)19-23-9-5-3-6-10-23;1-21-18-27-26-15-14-22-19-31(23-10-6-4-7-11-23)17-16-25(22)29(26)30(2,3)28(27)20-32(21)24-12-8-5-9-13-24/h4-19H,1-3H3;3*5-20H,1-4H3;3-18,21-22H,19-20H2,1-2H3;4-20H,1-3H3/q6*+2
• InChIKey: RMADUOPUWURBGY-UHFFFAOYSA-N
• XLogP: 37.68
• TPSA: 55.79 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2627.42
LogP ≤ 5	37.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?

The IUPAC name of 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (CID 160663778) is 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.

What is the SMILES notation for 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?

The canonical SMILES for 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is CC1(C)c2c[n+](Cc3ccccc3)ccc2-c2ccc3c[n+](Cc4ccccc4)ccc3c21.Cc1cc2c(c[n+]1-c1ccccc1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3)ccc12.Cc1ccc(-[n+]2ccc3c(c2)C(C)(C)c2c-3ccc3c[n+](-c4ccc(C)cc4)ccc23)cc1.Cc1ccccc1-[n+]1ccc2c(c1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3C)ccc12.Cc1ccccc1-[n+]1ccc2c(c1)C(C)(C)c1c-2ccc2c[n+](-c3ccccc3C)ccc12.Cc1ccccc1-[n+]1ccc2c3c(ccc2c1)-c1cc[n+](-c2ccccc2OC(F)(F)F)cc1C3(C)C.

What is the InChIKey of 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?

The InChIKey is RMADUOPUWURBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N2O.4C31H28N2.C30H26N2/c1-20-8-4-5-9-26(20)35-16-14-22-21(18-35)12-13-24-23-15-17-36(19-25(23)30(2,3)29(22)24)27-10-6-7-11-28(27)37-31(32,33)34;1-21-5-10-24(11-6-21)32-17-15-26-23(19-32)9-14-28-27-16-18-33(25-12-7-22(2)8-13-25)20-29(27)31(3,4)30(26)28;2*1-21-9-5-7-11-28(21)32-17-15-24-23(19-32)13-14-26-25-16-18-33(29-12-8-6-10-22(29)2)20-27(25)31(3,4)30(24)26;1-31(2)29-22-33(20-24-11-7-4-8-12-24)18-16-27(29)28-14-13-25-21-32(17-15-26(25)30(28)31)19-23-9-5-3-6-10-23;1-21-18-27-26-15-14-22-19-31(23-10-6-4-7-11-23)17-16-25(22)29(26)30(2,3)28(27)20-32(21)24-12-8-5-9-13-24/h4-19H,1-3H3;3*5-20H,1-4H3;3-18,21-22H,19-20H2,1-2H3;4-20H,1-3H3/q6*+2.

What are the key properties of 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?

5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene has a molecular weight of 2627.42 g/mol, XLogP of 37.68, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,14-dibenzyl-17,17-dimethyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;bis(17,17-dimethyl-5,14-bis(2-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene);17,17-dimethyl-5,14-bis(4-methylphenyl)-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;17,17-dimethyl-5-(2-methylphenyl)-14-[2-(trifluoromethoxy)phenyl]-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;13,17,17-trimethyl-5,14-diphenyl-5,14-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is sourced from PubChem (CID 160663778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).