15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine

C26H23N3O — CID 134132482

About 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine

15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine (PubChem CID 134132482) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine.

Molecular Properties

• Compound Name: 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
• PubChem CID: 134132482
• Molecular Formula: C26H23N3O
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.18
• IUPAC Name: 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine
• SMILES: Nc1c2c(cc3c1C(c1ccccc1)c1c(n[nH]c1-c1ccccc1)O3)CCCC2
• InChI: InChI=1S/C26H23N3O/c27-24-19-14-8-7-13-18(19)15-20-22(24)21(16-9-3-1-4-10-16)23-25(28-29-26(23)30-20)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14,27H2,(H,28,29)
• InChIKey: VROJRXWSCZSWBD-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 63.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?

The IUPAC name of 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine (CID 134132482) is 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine.

What is the SMILES notation for 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?

The canonical SMILES for 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine is Nc1c2c(cc3c1C(c1ccccc1)c1c(n[nH]c1-c1ccccc1)O3)CCCC2.

What is the InChIKey of 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?

The InChIKey is VROJRXWSCZSWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c27-24-19-14-8-7-13-18(19)15-20-22(24)21(16-9-3-1-4-10-16)23-25(28-29-26(23)30-20)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14,27H2,(H,28,29).

What are the key properties of 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine?

15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine has a molecular weight of 393.49 g/mol, XLogP of 5.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15,17-diphenyl-11-oxa-13,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,8,12,15-pentaen-2-amine is sourced from PubChem (CID 134132482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).