1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole

C66H39B2N3O3 — CID 177090769

About 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole

1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole (PubChem CID 177090769) has the molecular formula C66H39B2N3O3 and a molecular weight of 943.68 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole.

Molecular Properties

• Compound Name: 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole
• PubChem CID: 177090769
• Molecular Formula: C66H39B2N3O3
• Molecular Weight: 943.68 g/mol
• Exact Mass: 943.32
• IUPAC Name: 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole
• SMILES: c1ccc2c(c1)Oc1cc3c4c(c1B2c1ccccc1-n1c2ccccc2c2ccccc21)Oc1c(cccc1-n1c2ccccc2c2cccc(-n5c6ccccc6c6ccccc65)c21)B4c1ccccc1O3
• InChI: InChI=1S/C66H39B2N3O3/c1-9-29-50-40(19-1)41-20-2-10-30-51(41)69(50)55-34-14-6-25-46(55)67-47-26-7-15-37-58(47)72-60-39-61-63-66(62(60)67)74-65-49(68(63)48-27-8-16-38-59(48)73-61)28-18-36-57(65)71-54-33-13-5-23-44(54)45-24-17-35-56(64(45)71)70-52-31-11-3-21-42(52)43-22-4-12-32-53(43)70/h1-39H
• InChIKey: ZGJMDIABROZGFZ-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 42.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.68
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole?

The IUPAC name of 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole (CID 177090769) is 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole.

What is the SMILES notation for 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole?

The canonical SMILES for 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole is c1ccc2c(c1)Oc1cc3c4c(c1B2c1ccccc1-n1c2ccccc2c2ccccc21)Oc1c(cccc1-n1c2ccccc2c2cccc(-n5c6ccccc6c6ccccc65)c21)B4c1ccccc1O3.

What is the InChIKey of 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole?

The InChIKey is ZGJMDIABROZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39B2N3O3/c1-9-29-50-40(19-1)41-20-2-10-30-51(41)69(50)55-34-14-6-25-46(55)67-47-26-7-15-37-58(47)72-60-39-61-63-66(62(60)67)74-65-49(68(63)48-27-8-16-38-59(48)73-61)28-18-36-57(65)71-54-33-13-5-23-44(54)45-24-17-35-56(64(45)71)70-52-31-11-3-21-42(52)43-22-4-12-32-53(43)70/h1-39H.

What are the key properties of 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole?

1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole has a molecular weight of 943.68 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-carbazol-9-yl-9-[19-(2-carbazol-9-ylphenyl)-2,16,26-trioxa-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10(15),11,13,17,20,22,24,27-dodecaen-14-yl]carbazole is sourced from PubChem (CID 177090769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).