11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C51H34BN5 — CID 170524087

IUPAC11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2nc3n(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C51H34BN5/c1-5-19-35(20-6-1)49-50(36-21-7-2-8-22-36)57-45-32-18-17-31-44(45)56(51(57)53-49)39-33-46-48-47(34-39)55(38-25-11-4-12-26-38)43-30-16-14-28-41(43)52(48)40-27-13-15-29-42(40)54(46)37-23-9-3-10-24-37/h1-34H
InChIKeyDJNGEBVWRNEJQJ-UHFFFAOYSA-N
MW727.68 g/mol
LogP10.69
Rot. Bonds5

About 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 170524087) has the molecular formula C51H34BN5 and a molecular weight of 727.68 g/mol. Its IUPAC name is 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID170524087
Molecular FormulaC51H34BN5
Molecular Weight727.68 g/mol
Exact Mass727.29
IUPAC Name11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2nc3n(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c4ccccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C51H34BN5/c1-5-19-35(20-6-1)49-50(36-21-7-2-8-22-36)57-45-32-18-17-31-44(45)56(51(57)53-49)39-33-46-48-47(34-39)55(38-25-11-4-12-26-38)43-30-16-14-28-41(43)52(48)40-27-13-15-29-42(40)54(46)37-23-9-3-10-24-37/h1-34H
InChIKeyDJNGEBVWRNEJQJ-UHFFFAOYSA-N
XLogP10.69
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.68
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

11-(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 160682530
11-(3,5-diphenylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 123616085
8,14-diphenyl-11-(3-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 123824531
17,29-di(carbazol-9-yl)-14,32-diphenyl-14,20,26,32-tetraza-1,7,39-triboratridecacyclo[23.19.1.12,6.17,15.126,40.127,31.08,13.021,45.033,38.019,48.020,49.039,47.044,46]nonatetraconta-2,4,6(49),8,10,12,15(48),16,18,21(45),22,24,27,29,31(47),33,35,37,40(46),41,43-henicosaene
CID 169037922
8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 162505107
11-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 171599940
5,21-diphenyl-24-(2-phenylcarbazol-9-yl)-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9,11,13(27),15,17,19,22,24-dodecaene
CID 155618088
11-fluoro-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 168836129
11-[4,6-bis(3,5-diphenylphenyl)-2-pyridinyl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 164941606
5,11,22,28-tetraphenyl-5,11,22,28-tetraza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
CID 123463711
[3-[11-carbazol-9-yl-17-phenyl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783903
[3-[11-carbazol-9-yl-5-phenyl-14-(4-triphenylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-8-yl]phenyl]-triphenylsilane
CID 168783969

Frequently Asked Questions

What is the IUPAC name of 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 170524087) is 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2nc3n(-c4cc5c6c(c4)N(c4ccccc4)c4ccccc4B6c4ccccc4N5c4ccccc4)c4ccccc4n3c2-c2ccccc2)cc1.
What is the InChIKey of 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is DJNGEBVWRNEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34BN5/c1-5-19-35(20-6-1)49-50(36-21-7-2-8-22-36)57-45-32-18-17-31-44(45)56(51(57)53-49)39-33-46-48-47(34-39)55(38-25-11-4-12-26-38)43-30-16-14-28-41(43)52(48)40-27-13-15-29-42(40)54(46)37-23-9-3-10-24-37/h1-34H.
What are the key properties of 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 727.68 g/mol, XLogP of 10.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,2-diphenylimidazo[1,2-a]benzimidazol-4-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 170524087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).