10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene

C38H23N3 — CID 160906088

About 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene

10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene (PubChem CID 160906088) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene.

Molecular Properties

• Compound Name: 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene
• PubChem CID: 160906088
• Molecular Formula: C38H23N3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.19
• IUPAC Name: 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5c7ccccc7nc5c4ccc32)Cc2ccccc2-6)cc1
• InChI: InChI=1S/C38H23N3/c1-2-11-25(12-3-1)40-32-16-8-6-14-27(32)37-34(40)19-18-28-36(37)30-22-29-24(20-23-10-4-5-13-26(23)29)21-35(30)41-33-17-9-7-15-31(33)39-38(28)41/h1-19,21-22H,20H2
• InChIKey: LACIBEHSZDTUIH-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 22.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene?

The IUPAC name of 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene (CID 160906088) is 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene.

What is the SMILES notation for 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene?

The canonical SMILES for 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene is c1ccc(-n2c3ccccc3c3c4c5cc6c(cc5n5c7ccccc7nc5c4ccc32)Cc2ccccc2-6)cc1.

What is the InChIKey of 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene?

The InChIKey is LACIBEHSZDTUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-11-25(12-3-1)40-32-16-8-6-14-27(32)37-34(40)19-18-28-36(37)30-22-29-24(20-23-10-4-5-13-26(23)29)21-35(30)41-33-17-9-7-15-31(33)39-38(28)41/h1-19,21-22H,20H2.

What are the key properties of 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene?

10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene has a molecular weight of 521.62 g/mol, XLogP of 9.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene is sourced from PubChem (CID 160906088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).