7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene

C32H34B2N2O3 — CID 58413880

IUPAC7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene
SMILESc1ccc(B2OCCN3CCN(CCOB(c4ccccc4)c4ccc(cc4)Oc4ccc2cc4)CC3)cc1
InChIInChI=1S/C32H34B2N2O3/c1-3-7-27(8-4-1)33-29-11-15-31(16-12-29)39-32-17-13-30(14-18-32)34(28-9-5-2-6-10-28)38-26-24-36-21-19-35(20-22-36)23-25-37-33/h1-18H,19-26H2
InChIKeyWEOWOOGECTYDNV-UHFFFAOYSA-N
MW516.26 g/mol
LogP2.35
Rot. Bonds2

About 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene

7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene (PubChem CID 58413880) has the molecular formula C32H34B2N2O3 and a molecular weight of 516.26 g/mol. Its IUPAC name is 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene.

Molecular Properties

Compound Name7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene
PubChem CID58413880
Molecular FormulaC32H34B2N2O3
Molecular Weight516.26 g/mol
Exact Mass516.28
IUPAC Name7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene
SMILESc1ccc(B2OCCN3CCN(CCOB(c4ccccc4)c4ccc(cc4)Oc4ccc2cc4)CC3)cc1
InChIInChI=1S/C32H34B2N2O3/c1-3-7-27(8-4-1)33-29-11-15-31(16-12-29)39-32-17-13-30(14-18-32)34(28-9-5-2-6-10-28)38-26-24-36-21-19-35(20-22-36)23-25-37-33/h1-18H,19-26H2
InChIKeyWEOWOOGECTYDNV-UHFFFAOYSA-N
XLogP2.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene?
The IUPAC name of 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene (CID 58413880) is 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene.
What is the SMILES notation for 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene?
The canonical SMILES for 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene is c1ccc(B2OCCN3CCN(CCOB(c4ccccc4)c4ccc(cc4)Oc4ccc2cc4)CC3)cc1.
What is the InChIKey of 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene?
The InChIKey is WEOWOOGECTYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34B2N2O3/c1-3-7-27(8-4-1)33-29-11-15-31(16-12-29)39-32-17-13-30(14-18-32)34(28-9-5-2-6-10-28)38-26-24-36-21-19-35(20-22-36)23-25-37-33/h1-18H,19-26H2.
What are the key properties of 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene?
7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene has a molecular weight of 516.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-diphenyl-2,8,17-trioxa-11,14-diaza-7,18-diboratetracyclo[17.2.2.23,6.211,14]heptacosa-1(21),3(27),4,6(26),19,22-hexaene is sourced from PubChem (CID 58413880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).