1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene

C28H18BN3 — CID 90070066

IUPAC1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene
SMILESc1ccc2c(c1)B1c3ccccc3-n3c(cc4ccccc43)N1c1cc3ccccc3n1-2
InChIInChI=1S/C28H18BN3/c1-5-13-23-19(9-1)17-27-30(23)25-15-7-3-11-21(25)29-22-12-4-8-16-26(22)31-24-14-6-2-10-20(24)18-28(31)32(27)29/h1-18H
InChIKeyHSHSAKIJTQSSRM-UHFFFAOYSA-N
MW407.29 g/mol
LogP5.15
Rot. Bonds

About 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene

1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene (PubChem CID 90070066) has the molecular formula C28H18BN3 and a molecular weight of 407.29 g/mol. Its IUPAC name is 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene.

Molecular Properties

Compound Name1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene
PubChem CID90070066
Molecular FormulaC28H18BN3
Molecular Weight407.29 g/mol
Exact Mass407.16
IUPAC Name1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene
SMILESc1ccc2c(c1)B1c3ccccc3-n3c(cc4ccccc43)N1c1cc3ccccc3n1-2
InChIInChI=1S/C28H18BN3/c1-5-13-23-19(9-1)17-27-30(23)25-15-7-3-11-21(25)29-22-12-4-8-16-26(22)31-24-14-6-2-10-20(24)18-28(31)32(27)29/h1-18H
InChIKeyHSHSAKIJTQSSRM-UHFFFAOYSA-N
XLogP5.15
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene 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 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene?
The IUPAC name of 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene (CID 90070066) is 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene.
What is the SMILES notation for 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene?
The canonical SMILES for 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene is c1ccc2c(c1)B1c3ccccc3-n3c(cc4ccccc43)N1c1cc3ccccc3n1-2.
What is the InChIKey of 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene?
The InChIKey is HSHSAKIJTQSSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BN3/c1-5-13-23-19(9-1)17-27-30(23)25-15-7-3-11-21(25)29-22-12-4-8-16-26(22)31-24-14-6-2-10-20(24)18-28(31)32(27)29/h1-18H.
What are the key properties of 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene?
1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene has a molecular weight of 407.29 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene is sourced from PubChem (CID 90070066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).