26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene

C66H34BN3 — CID 176826214

About 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene

26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene (PubChem CID 176826214) has the molecular formula C66H34BN3 and a molecular weight of 879.83 g/mol. Its IUPAC name is 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene.

Molecular Properties

• Compound Name: 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene
• PubChem CID: 176826214
• Molecular Formula: C66H34BN3
• Molecular Weight: 879.83 g/mol
• Exact Mass: 879.28
• IUPAC Name: 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene
• SMILES: c1ccc2c(c1)-c1cccc3ccc4c(c13)c1c-2ccc2c1n4-c1cc(-n3c4ccccc4c4c5ccccc5ccc43)cc3c1B2c1cc2cccc4c2c2c5c(cccc5n-3c12)-c1ccccc1-4
• InChI: InChI=1S/C66H34BN3/c1-2-15-39-35(12-1)26-30-53-59(39)48-20-7-8-24-51(48)68(53)38-33-55-64-56(34-38)70-54-31-27-36-13-9-21-44-41-17-4-6-19-43(41)47-28-29-49(65(70)61(47)62(54)57(36)44)67(64)50-32-37-14-10-22-45-40-16-3-5-18-42(40)46-23-11-25-52-60(46)63(58(37)45)66(50)69(52)55/h1-34H
• InChIKey: CRCITXAEEXUJPY-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.83
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene?

The IUPAC name of 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene (CID 176826214) is 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene.

What is the SMILES notation for 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene?

The canonical SMILES for 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene is c1ccc2c(c1)-c1cccc3ccc4c(c13)c1c-2ccc2c1n4-c1cc(-n3c4ccccc4c4c5ccccc5ccc43)cc3c1B2c1cc2cccc4c2c2c5c(cccc5n-3c12)-c1ccccc1-4.

What is the InChIKey of 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene?

The InChIKey is CRCITXAEEXUJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34BN3/c1-2-15-39-35(12-1)26-30-53-59(39)48-20-7-8-24-51(48)68(53)38-33-55-64-56(34-38)70-54-31-27-36-13-9-21-44-41-17-4-6-19-43(41)47-28-29-49(65(70)61(47)62(54)57(36)44)67(64)50-32-37-14-10-22-45-40-16-3-5-18-42(40)46-23-11-25-52-60(46)63(58(37)45)66(50)69(52)55/h1-34H.

What are the key properties of 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene?

26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene has a molecular weight of 879.83 g/mol, XLogP of 14.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-benzo[c]carbazol-7-yl-23,29-diaza-1-borapentadecacyclo[26.22.1.14,8.132,36.02,22.09,14.015,20.019,23.024,51.029,33.030,50.031,47.041,46.021,53.040,52]tripentaconta-2,4(53),5,7,9,11,13,15(20),16,18,21,24(51),25,27,30(50),31(47),32,34,36(52),37,39,41,43,45,48-pentacosaene is sourced from PubChem (CID 176826214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).