20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene

C82H58N6O2+4 — CID 157211858

About 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene

20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene (PubChem CID 157211858) has the molecular formula C82H58N6O2+4 and a molecular weight of 1159.41 g/mol. Its IUPAC name is 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene
• PubChem CID: 157211858
• Molecular Formula: C82H58N6O2+4
• Molecular Weight: 1159.41 g/mol
• Exact Mass: 1158.46
• IUPAC Name: 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+]2c(c1)-c1cc(-c3ccccc3)cc3c1C21c2c(cccc2-n2ccc[n+]21)O3.Cc1cc(-c2ccccc2)cc(C)c1-c1ccc2[n+](c1)C13c4c(cccc4-n4ccc[n+]41)Oc1ccc(-c4ccccc4)c-2c13
• InChI: InChI=1S/2C41H29N3O/c1-26-23-31(28-11-5-3-6-12-28)24-27(2)37(26)30-17-19-33-38-32(29-13-7-4-8-14-29)18-20-36-40(38)41(42(33)25-30)39-34(15-9-16-35(39)45-36)43-21-10-22-44(41)43;1-26-21-31(28-11-5-3-6-12-28)22-27(2)38(26)30-17-20-42-35(24-30)33-23-32(29-13-7-4-8-14-29)25-37-39(33)41(42)40-34(15-9-16-36(40)45-37)43-18-10-19-44(41)43/h2*3-25H,1-2H3/q2*+2
• InChIKey: HRDISEKUNGNNPG-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 43.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.41
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene?

The IUPAC name of 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene (CID 157211858) is 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene.

What is the SMILES notation for 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene?

The canonical SMILES for 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene is Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+]2c(c1)-c1cc(-c3ccccc3)cc3c1C21c2c(cccc2-n2ccc[n+]21)O3.Cc1cc(-c2ccccc2)cc(C)c1-c1ccc2[n+](c1)C13c4c(cccc4-n4ccc[n+]41)Oc1ccc(-c4ccccc4)c-2c13.

What is the InChIKey of 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene?

The InChIKey is HRDISEKUNGNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H29N3O/c1-26-23-31(28-11-5-3-6-12-28)24-27(2)37(26)30-17-19-33-38-32(29-13-7-4-8-14-29)18-20-36-40(38)41(42(33)25-30)39-34(15-9-16-35(39)45-36)43-21-10-22-44(41)43;1-26-21-31(28-11-5-3-6-12-28)22-27(2)38(26)30-17-20-42-35(24-30)33-23-32(29-13-7-4-8-14-29)25-37-39(33)41(42)40-34(15-9-16-36(40)45-37)43-18-10-19-44(41)43/h2*3-25H,1-2H3/q2*+2.

What are the key properties of 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene?

20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene has a molecular weight of 1159.41 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(2,6-dimethyl-4-phenylphenyl)-15-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18(23),19,21-undecaene;21-(2,6-dimethyl-4-phenylphenyl)-16-phenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene is sourced from PubChem (CID 157211858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).