Skip to content

11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene

C34H23BN4 — CID 156627437

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene
SMILESc1ccc(N2c3cccc4c3B(n3c2cc2ccccc23)n2c(cc3ccccc32)N4c2ccccc2)cc1
InChIInChI=1S/C34H23BN4/c1-3-14-26(15-4-1)36-30-20-11-21-31-34(30)35(38-28-18-9-7-12-24(28)22-32(36)38)39-29-19-10-8-13-25(29)23-33(39)37(31)27-16-5-2-6-17-27/h1-23H
InChIKeyQASIZYVDJZAEGZ-UHFFFAOYSA-N
MW498.40 g/mol
LogP7.95
Rot. Bonds2

About 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene

11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene (PubChem CID 156627437) has the molecular formula C34H23BN4 and a molecular weight of 498.40 g/mol. Its IUPAC name is 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene.

Molecular Properties

Compound Name11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene
PubChem CID156627437
Molecular FormulaC34H23BN4
Molecular Weight498.40 g/mol
Exact Mass498.20
IUPAC Name11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene
SMILESc1ccc(N2c3cccc4c3B(n3c2cc2ccccc23)n2c(cc3ccccc32)N4c2ccccc2)cc1
InChIInChI=1S/C34H23BN4/c1-3-14-26(15-4-1)36-30-20-11-21-31-34(30)35(38-28-18-9-7-12-24(28)22-32(36)38)39-29-19-10-8-13-25(29)23-33(39)37(31)27-16-5-2-6-17-27/h1-23H
InChIKeyQASIZYVDJZAEGZ-UHFFFAOYSA-N
XLogP7.95
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene 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 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene?
The IUPAC name of 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene (CID 156627437) is 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene.
What is the SMILES notation for 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene?
The canonical SMILES for 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene is c1ccc(N2c3cccc4c3B(n3c2cc2ccccc23)n2c(cc3ccccc32)N4c2ccccc2)cc1.
What is the InChIKey of 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene?
The InChIKey is QASIZYVDJZAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BN4/c1-3-14-26(15-4-1)36-30-20-11-21-31-34(30)35(38-28-18-9-7-12-24(28)22-32(36)38)39-29-19-10-8-13-25(29)23-33(39)37(31)27-16-5-2-6-17-27/h1-23H.
What are the key properties of 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene?
11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene has a molecular weight of 498.40 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-diphenyl-2,11,17,26-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.020,25]heptacosa-3,5,7,9,12(27),13,15,18,20,22,24-undecaene is sourced from PubChem (CID 156627437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.