25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene

C35H21BN4 — CID 153430676

About 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene

25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene (PubChem CID 153430676) has the molecular formula C35H21BN4 and a molecular weight of 508.39 g/mol. Its IUPAC name is 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene.

Molecular Properties

• Compound Name: 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene
• PubChem CID: 153430676
• Molecular Formula: C35H21BN4
• Molecular Weight: 508.39 g/mol
• Exact Mass: 508.19
• IUPAC Name: 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene
• SMILES: c1ccc2c(c1)B1N(c3ccccc3-2)c2cc(-n3c4ccccc4c4ccccc43)cc3c4cnccc4n1c23
• InChI: InChI=1S/C35H21BN4/c1-5-13-29-23(9-1)24-10-4-8-16-32(24)39-34-20-22(19-27-28-21-37-18-17-33(28)40(35(27)34)36(29)39)38-30-14-6-2-11-25(30)26-12-3-7-15-31(26)38/h1-21H
• InChIKey: FOUIPMZSVXSEDR-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 25.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.39
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene?

The IUPAC name of 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene (CID 153430676) is 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene.

What is the SMILES notation for 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene?

The canonical SMILES for 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene is c1ccc2c(c1)B1N(c3ccccc3-2)c2cc(-n3c4ccccc4c4ccccc43)cc3c4cnccc4n1c23.

What is the InChIKey of 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene?

The InChIKey is FOUIPMZSVXSEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21BN4/c1-5-13-29-23(9-1)24-10-4-8-16-32(24)39-34-20-22(19-27-28-21-37-18-17-33(28)40(35(27)34)36(29)39)38-30-14-6-2-11-25(30)26-12-3-7-15-31(26)38/h1-21H.

What are the key properties of 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene?

25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene has a molecular weight of 508.39 g/mol, XLogP of 7.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 25-carbazol-9-yl-2,16,20-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17(22),18,20,23(27),24-dodecaene is sourced from PubChem (CID 153430676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).