4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene

C41H28N4O2+2 — CID 158194681

About 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene

4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene (PubChem CID 158194681) has the molecular formula C41H28N4O2+2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene.

Molecular Properties

• Compound Name: 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene
• PubChem CID: 158194681
• Molecular Formula: C41H28N4O2+2
• Molecular Weight: 608.70 g/mol
• Exact Mass: 608.22
• IUPAC Name: 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene
• SMILES: Cc1cc(-c2ccccc2)cc(C)c1-c1cn2[n+](c1)C13c4c(cccc4N4c5ccccc5Oc5ccc-2c1c54)Oc1cccc[n+]13
• InChI: InChI=1S/C41H28N4O2/c1-25-21-28(27-11-4-3-5-12-27)22-26(2)37(25)29-23-43-31-18-19-35-40-39(31)41(44(43)24-29)38-32(45(40)30-13-6-7-15-33(30)46-35)14-10-16-34(38)47-36-17-8-9-20-42(36)41/h3-24H,1-2H3/q+2
• InChIKey: CZDILQVFQIUJQU-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 34.39 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.70
LogP ≤ 5	8.61
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 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene?

The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene (CID 158194681) is 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene.

What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene?

The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene is Cc1cc(-c2ccccc2)cc(C)c1-c1cn2[n+](c1)C13c4c(cccc4N4c5ccccc5Oc5ccc-2c1c54)Oc1cccc[n+]13.

What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene?

The InChIKey is CZDILQVFQIUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-25-21-28(27-11-4-3-5-12-27)22-26(2)37(25)29-23-43-31-18-19-35-40-39(31)41(44(43)24-29)38-32(45(40)30-13-6-7-15-33(30)46-35)14-10-16-34(38)47-36-17-8-9-20-42(36)41/h3-24H,1-2H3/q+2.

What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene?

4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene has a molecular weight of 608.70 g/mol, XLogP of 8.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene is sourced from PubChem (CID 158194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).