23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene

C92H56BN3 — CID 167378094

IUPAC23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4B4c6cc7c8cccc9c%10ccccc%10n(c7cc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c%10ccccc%10c%10ccccc%107)cc3c64)c98)c3cccc4c6ccccc6n5c43)c2)cc1
InChIInChI=1S/C92H56BN3/c1-5-23-55(24-6-1)59-43-60(56-25-7-2-8-26-56)46-63(45-59)88-76-53-86-74(72-37-21-35-70-68-33-15-19-41-84(68)95(86)91(70)72)51-80(76)93-81-52-75-73-38-22-36-71-69-34-16-20-42-85(69)96(92(71)73)87(75)54-77(81)89(64-47-61(57-27-9-3-10-28-57)44-62(48-64)58-29-11-4-12-30-58)79-50-65(49-78(88)90(79)93)94-82-39-17-13-31-66(82)67-32-14-18-40-83(67)94/h1-54,88-89H
InChIKeyNIRZNWXFVLTWIG-UHFFFAOYSA-N
MW1214.29 g/mol
LogP21.26
Rot. Bonds7

About 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene

23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene (PubChem CID 167378094) has the molecular formula C92H56BN3 and a molecular weight of 1214.29 g/mol. Its IUPAC name is 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene.

Molecular Properties

Compound Name23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene
PubChem CID167378094
Molecular FormulaC92H56BN3
Molecular Weight1214.29 g/mol
Exact Mass1213.46
IUPAC Name23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4B4c6cc7c8cccc9c%10ccccc%10n(c7cc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c%10ccccc%10c%10ccccc%107)cc3c64)c98)c3cccc4c6ccccc6n5c43)c2)cc1
InChIInChI=1S/C92H56BN3/c1-5-23-55(24-6-1)59-43-60(56-25-7-2-8-26-56)46-63(45-59)88-76-53-86-74(72-37-21-35-70-68-33-15-19-41-84(68)95(86)91(70)72)51-80(76)93-81-52-75-73-38-22-36-71-69-34-16-20-42-85(69)96(92(71)73)87(75)54-77(81)89(64-47-61(57-27-9-3-10-28-57)44-62(48-64)58-29-11-4-12-30-58)79-50-65(49-78(88)90(79)93)94-82-39-17-13-31-66(82)67-32-14-18-40-83(67)94/h1-54,88-89H
InChIKeyNIRZNWXFVLTWIG-UHFFFAOYSA-N
XLogP21.26
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.29
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene 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 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene?
The IUPAC name of 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene (CID 167378094) is 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene.
What is the SMILES notation for 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene?
The canonical SMILES for 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene is c1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4B4c6cc7c8cccc9c%10ccccc%10n(c7cc6C(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cc(-n7c%10ccccc%10c%10ccccc%107)cc3c64)c98)c3cccc4c6ccccc6n5c43)c2)cc1.
What is the InChIKey of 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene?
The InChIKey is NIRZNWXFVLTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H56BN3/c1-5-23-55(24-6-1)59-43-60(56-25-7-2-8-26-56)46-63(45-59)88-76-53-86-74(72-37-21-35-70-68-33-15-19-41-84(68)95(86)91(70)72)51-80(76)93-81-52-75-73-38-22-36-71-69-34-16-20-42-85(69)96(92(71)73)87(75)54-77(81)89(64-47-61(57-27-9-3-10-28-57)44-62(48-64)58-29-11-4-12-30-58)79-50-65(49-78(88)90(79)93)94-82-39-17-13-31-66(82)67-32-14-18-40-83(67)94/h1-54,88-89H.
What are the key properties of 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene?
23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene has a molecular weight of 1214.29 g/mol, XLogP of 21.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-carbazol-9-yl-20,26-bis(3,5-diphenylphenyl)-16,30-diaza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21,23,25(45),27,29(42),31,33,35,37(46),38,40,43-henicosaene is sourced from PubChem (CID 167378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).