14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene

C147H98N12O4+8 — CID 157240000

About 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene

14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene (PubChem CID 157240000) has the molecular formula C147H98N12O4+8 and a molecular weight of 2096.48 g/mol. Its IUPAC name is 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene
• PubChem CID: 157240000
• Molecular Formula: C147H98N12O4+8
• Molecular Weight: 2096.48 g/mol
• Exact Mass: 2094.78
• IUPAC Name: 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2ccccc2)c2c3c1Oc1cccc4c1C3([n+]1ccccc1-2)[n+]1cccn1-4.Cc1cc2c3c(c1-c1cccc(-c4ccccc4)c1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2.c1ccc(-c2ccc(-c3cc4c5c(c3-c3ccccc3)-c3cccc[n+]3C53c5c(cccc5-n5ccc[n+]53)O4)cc2)cc1.c1ccc(-c2ccccc2-c2ccc3c4c2-c2cccc[n+]2C42c4c(cccc4-n4ccc[n+]42)O3)cc1
• InChI: InChI=1S/C41H29N3O.C39H25N3O.C34H23N3O.C33H21N3O/c1-26-23-30(28-13-5-3-6-14-28)24-27(2)36(26)32-25-31(29-15-7-4-8-16-29)37-33-17-9-10-20-42(33)41-38-34(43-21-12-22-44(41)43)18-11-19-35(38)45-40(32)39(37)41;1-3-11-26(12-4-1)27-18-20-28(21-19-27)30-25-34-38-36(35(30)29-13-5-2-6-14-29)31-15-7-8-22-40(31)39(38)37-32(16-9-17-33(37)43-34)41-23-10-24-42(39)41;1-22-20-29-33-31(30(22)25-13-7-12-24(21-25)23-10-3-2-4-11-23)26-14-5-6-17-35(26)34(33)32-27(15-8-16-28(32)38-29)36-18-9-19-37(34)36;1-2-10-22(11-3-1)23-12-4-5-13-24(23)25-17-18-29-32-30(25)26-14-6-7-19-34(26)33(32)31-27(15-8-16-28(31)37-29)35-20-9-21-36(33)35/h3-25H,1-2H3;1-25H;2-21H,1H3;1-21H/q4*+2
• InChIKey: JCOCRMNVQMTOPL-UHFFFAOYSA-N
• XLogP: 28.59
• TPSA: 87.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2096.48
LogP ≤ 5	28.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene?

The IUPAC name of 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene (CID 157240000) is 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene.

What is the SMILES notation for 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene?

The canonical SMILES for 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2ccccc2)c2c3c1Oc1cccc4c1C3([n+]1ccccc1-2)[n+]1cccn1-4.Cc1cc2c3c(c1-c1cccc(-c4ccccc4)c1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2.c1ccc(-c2ccc(-c3cc4c5c(c3-c3ccccc3)-c3cccc[n+]3C53c5c(cccc5-n5ccc[n+]53)O4)cc2)cc1.c1ccc(-c2ccccc2-c2ccc3c4c2-c2cccc[n+]2C42c4c(cccc4-n4ccc[n+]42)O3)cc1.

What is the InChIKey of 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene?

The InChIKey is JCOCRMNVQMTOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O.C39H25N3O.C34H23N3O.C33H21N3O/c1-26-23-30(28-13-5-3-6-14-28)24-27(2)36(26)32-25-31(29-15-7-4-8-16-29)37-33-17-9-10-20-42(33)41-38-34(43-21-12-22-44(41)43)18-11-19-35(38)45-40(32)39(37)41;1-3-11-26(12-4-1)27-18-20-28(21-19-27)30-25-34-38-36(35(30)29-13-5-2-6-14-29)31-15-7-8-22-40(31)39(38)37-32(16-9-17-33(37)43-34)41-23-10-24-42(39)41;1-22-20-29-33-31(30(22)25-13-7-12-24(21-25)23-10-3-2-4-11-23)26-14-5-6-17-35(26)34(33)32-27(15-8-16-28(32)38-29)36-18-9-19-37(34)36;1-2-10-22(11-3-1)23-12-4-5-13-24(23)25-17-18-29-32-30(25)26-14-6-7-19-34(26)33(32)31-27(15-8-16-28(31)37-29)35-20-9-21-36(33)35/h3-25H,1-2H3;1-25H;2-21H,1H3;1-21H/q4*+2.

What are the key properties of 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene?

14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene has a molecular weight of 2096.48 g/mol, XLogP of 28.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(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),8,10,13,15,17(24),18,20,22-undecaene;15-methyl-16-(3-phenylphenyl)-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),14,16,18,20,22-undecaene;16-(2-phenylphenyl)-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),14,16,18,20,22-undecaene;16-phenyl-15-(4-phenylphenyl)-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),14,16,18,20,22-undecaene is sourced from PubChem (CID 157240000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).