9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene

C32H18N2 — CID 177285992

About 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene

9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene (PubChem CID 177285992) has the molecular formula C32H18N2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene.

Molecular Properties

• Compound Name: 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene
• PubChem CID: 177285992
• Molecular Formula: C32H18N2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.15
• IUPAC Name: 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene
• SMILES: c1ccc(-c2cn3c4ccc5c(c6cccc7c8ccccc8n5c76)c4c4cccc2c43)cc1
• InChI: InChI=1S/C32H18N2/c1-2-8-19(9-3-1)25-18-33-27-16-17-28-30(29(27)23-13-7-12-22(25)31(23)33)24-14-6-11-21-20-10-4-5-15-26(20)34(28)32(21)24/h1-18H
• InChIKey: MVJMULQLEQSQLJ-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene?

The IUPAC name of 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene (CID 177285992) is 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene.

What is the SMILES notation for 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene?

The canonical SMILES for 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene is c1ccc(-c2cn3c4ccc5c(c6cccc7c8ccccc8n5c76)c4c4cccc2c43)cc1.

What is the InChIKey of 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene?

The InChIKey is MVJMULQLEQSQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2/c1-2-8-19(9-3-1)25-18-33-27-16-17-28-30(29(27)23-13-7-12-22(25)31(23)33)24-14-6-11-21-20-10-4-5-15-26(20)34(28)32(21)24/h1-18H.

What are the key properties of 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene?

9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene has a molecular weight of 430.51 g/mol, XLogP of 8.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene is sourced from PubChem (CID 177285992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).