14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene

C41H24N6 — CID 158449398

About 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene

14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene (PubChem CID 158449398) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
• PubChem CID: 158449398
• Molecular Formula: C41H24N6
• Molecular Weight: 600.69 g/mol
• Exact Mass: 600.21
• IUPAC Name: 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2cnccc2n2c3ccncc3nc62)cc1
• InChI: InChI=1S/C41H24N6/c1-3-9-25(10-4-1)45-35-14-8-7-13-27(35)28-15-16-29-31-21-32-30(22-38(31)46(40(29)39(28)45)26-11-5-2-6-12-26)33-23-42-19-17-36(33)47-37-18-20-43-24-34(37)44-41(32)47/h1-24H
• InChIKey: ONKKOZNESHOEIE-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 52.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.69
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The IUPAC name of 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene (CID 158449398) is 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The canonical SMILES for 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene is c1ccc(-n2c3ccccc3c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c32)c2cnccc2n2c3ccncc3nc62)cc1.

What is the InChIKey of 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

The InChIKey is ONKKOZNESHOEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-3-9-25(10-4-1)45-35-14-8-7-13-27(35)28-15-16-29-31-21-32-30(22-38(31)46(40(29)39(28)45)26-11-5-2-6-12-26)33-23-42-19-17-36(33)47-37-18-20-43-24-34(37)44-41(32)47/h1-24H.

What are the key properties of 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene?

14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene has a molecular weight of 600.69 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 158449398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).