2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene

C56H36BN5 — CID 155614093

IUPAC2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5cccc7c5B(N(c5ccccc5)c5ccccc5-7)N6c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C56H36BN5/c1-4-17-37(18-5-1)55-46-25-10-13-28-49(46)58-56(59-55)60-50-29-14-11-24-43(50)47-35-38(31-33-51(47)60)39-32-34-53-48(36-39)45-27-16-26-44-42-23-12-15-30-52(42)61(40-19-6-2-7-20-40)57(54(44)45)62(53)41-21-8-3-9-22-41/h1-36H
InChIKeyIOXSWQUTICUPJB-UHFFFAOYSA-N
MW789.75 g/mol
LogP13.39
Rot. Bonds5

About 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene

2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene (PubChem CID 155614093) has the molecular formula C56H36BN5 and a molecular weight of 789.75 g/mol. Its IUPAC name is 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene.

Molecular Properties

Compound Name2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
PubChem CID155614093
Molecular FormulaC56H36BN5
Molecular Weight789.75 g/mol
Exact Mass789.31
IUPAC Name2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5cccc7c5B(N(c5ccccc5)c5ccccc5-7)N6c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C56H36BN5/c1-4-17-37(18-5-1)55-46-25-10-13-28-49(46)58-56(59-55)60-50-29-14-11-24-43(50)47-35-38(31-33-51(47)60)39-32-34-53-48(36-39)45-27-16-26-44-42-23-12-15-30-52(42)61(40-19-6-2-7-20-40)57(54(44)45)62(53)41-21-8-3-9-22-41/h1-36H
InChIKeyIOXSWQUTICUPJB-UHFFFAOYSA-N
XLogP13.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.75
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,20-bis(4-tert-butylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene
CID 155614061
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
9-(4-phenylquinazolin-2-yl)-3-(5,5'-spirobi[dibenzothiophene]-2-yl)carbazole
CID 147266430
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
9-(9-phenylcarbazol-3-yl)-6-(4-phenylquinazolin-2-yl)benzo[c][1,2]benzothiazine 5,5-dioxide
CID 162698999

Frequently Asked Questions

What is the IUPAC name of 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene?
The IUPAC name of 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene (CID 155614093) is 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene.
What is the SMILES notation for 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene?
The canonical SMILES for 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5cccc7c5B(N(c5ccccc5)c5ccccc5-7)N6c5ccccc5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene?
The InChIKey is IOXSWQUTICUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36BN5/c1-4-17-37(18-5-1)55-46-25-10-13-28-49(46)58-56(59-55)60-50-29-14-11-24-43(50)47-35-38(31-33-51(47)60)39-32-34-53-48(36-39)45-27-16-26-44-42-23-12-15-30-52(42)61(40-19-6-2-7-20-40)57(54(44)45)62(53)41-21-8-3-9-22-41/h1-36H.
What are the key properties of 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene?
2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene has a molecular weight of 789.75 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,20-diphenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2,20-diaza-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene is sourced from PubChem (CID 155614093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).