4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine

C36H26N4 — CID 163490862

About 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine

4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine (PubChem CID 163490862) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine.

Molecular Properties

• Compound Name: 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
• PubChem CID: 163490862
• Molecular Formula: C36H26N4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.22
• IUPAC Name: 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
• SMILES: Nn1c2ccccc2c2c1ccc1c3c4c(ccc3n(-c3ccccc3)c12)c1c(n4-c2ccccc2)CCC=C1
• InChI: InChI=1S/C36H26N4/c37-40-30-18-10-8-16-27(30)33-32(40)22-20-28-34-31(39(36(28)33)24-13-5-2-6-14-24)21-19-26-25-15-7-9-17-29(25)38(35(26)34)23-11-3-1-4-12-23/h1-8,10-16,18-22H,9,17,37H2
• InChIKey: CMMQIJBFDYFJQM-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 40.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine?

The IUPAC name of 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine (CID 163490862) is 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine.

What is the SMILES notation for 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine?

The canonical SMILES for 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine is Nn1c2ccccc2c2c1ccc1c3c4c(ccc3n(-c3ccccc3)c12)c1c(n4-c2ccccc2)CCC=C1.

What is the InChIKey of 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine?

The InChIKey is CMMQIJBFDYFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c37-40-30-18-10-8-16-27(30)33-32(40)22-20-28-34-31(39(36(28)33)24-13-5-2-6-14-24)21-19-26-25-15-7-9-17-29(25)38(35(26)34)23-11-3-1-4-12-23/h1-8,10-16,18-22H,9,17,37H2.

What are the key properties of 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine?

4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine has a molecular weight of 514.63 g/mol, XLogP of 8.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine is sourced from PubChem (CID 163490862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).