32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene

C84H52BN5 — CID 176811986

About 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene

32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene (PubChem CID 176811986) has the molecular formula C84H52BN5 and a molecular weight of 1142.19 g/mol. Its IUPAC name is 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene.

Molecular Properties

• Compound Name: 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene
• PubChem CID: 176811986
• Molecular Formula: C84H52BN5
• Molecular Weight: 1142.19 g/mol
• Exact Mass: 1141.43
• IUPAC Name: 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene
• SMILES: c1ccc(-c2cc3c4c(c2)-n2c5ccccc5c5cc6c(c(c52)B4c2cc4c(cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccccc2)c2ccccc2n6-c2ccccc2)cc1
• InChI: InChI=1S/C84H52BN5/c1-6-25-53(26-7-1)56-47-78-81-79(48-56)90(83-60(54-27-8-2-9-28-54)39-24-40-61(83)55-29-10-3-11-30-55)76-50-67-66-49-59(88-70-41-20-16-35-62(70)63-36-17-21-42-71(63)88)45-46-74(66)86(57-31-12-4-13-32-57)75(67)52-69(76)85(81)82-80-65-38-19-23-44-73(65)87(58-33-14-5-15-34-58)77(80)51-68-64-37-18-22-43-72(64)89(78)84(68)82/h1-52H
• InChIKey: SAHOFWPEWGWRIZ-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 22.96 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1142.19
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene?

The IUPAC name of 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene (CID 176811986) is 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene.

What is the SMILES notation for 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene?

The canonical SMILES for 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene is c1ccc(-c2cc3c4c(c2)-n2c5ccccc5c5cc6c(c(c52)B4c2cc4c(cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccccc2)c2ccccc2n6-c2ccccc2)cc1.

What is the InChIKey of 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene?

The InChIKey is SAHOFWPEWGWRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52BN5/c1-6-25-53(26-7-1)56-47-78-81-79(48-56)90(83-60(54-27-8-2-9-28-54)39-24-40-61(83)55-29-10-3-11-30-55)76-50-67-66-49-59(88-70-41-20-16-35-62(70)63-36-17-21-42-71(63)88)45-46-74(66)86(57-31-12-4-13-32-57)75(67)52-69(76)85(81)82-80-65-38-19-23-44-73(65)87(58-33-14-5-15-34-58)77(80)51-68-64-37-18-22-43-72(64)89(78)84(68)82/h1-52H.

What are the key properties of 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene?

32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene has a molecular weight of 1142.19 g/mol, XLogP of 19.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 32-carbazol-9-yl-26-(2,6-diphenylphenyl)-10,23,36-triphenyl-10,20,26,36-tetraza-1-boraundecacyclo[19.18.1.12,13.03,11.04,9.014,19.025,40.027,39.029,37.030,35.020,41]hentetraconta-2(41),3(11),4,6,8,12,14,16,18,21(40),22,24,27,29(37),30(35),31,33,38-octadecaene is sourced from PubChem (CID 176811986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).