5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C111H83BN4O — CID 174156731

IUPAC5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)N(c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-c3cc(-c5ccccc5)cc(C(C)(C)C)c3)cc2N4c2ccc(C(C)(C)C)cc2-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C111H83BN4O/c1-70-57-93(91-45-30-44-90-89-43-24-29-50-106(89)117-109(90)91)107(103(58-70)115-98-48-27-22-41-87(98)88-42-23-28-49-99(88)115)76-52-55-94-101(66-76)114(83-63-79(72-33-14-9-15-34-72)60-80(64-83)73-35-16-10-17-36-73)104-68-84(113-96-46-25-20-39-85(96)86-40-21-26-47-97(86)113)69-105-108(104)112(94)95-54-51-75(78-59-77(71-31-12-8-13-32-71)61-82(62-78)111(5,6)7)65-102(95)116(105)100-56-53-81(110(2,3)4)67-92(100)74-37-18-11-19-38-74/h8-69H,1-7H3
InChIKeyNWQGXUWHLAEHJQ-UHFFFAOYSA-N
MW1499.72 g/mol
LogP28.44
Rot. Bonds11

About 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 174156731) has the molecular formula C111H83BN4O and a molecular weight of 1499.72 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID174156731
Molecular FormulaC111H83BN4O
Molecular Weight1499.72 g/mol
Exact Mass1498.67
IUPAC Name5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)N(c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-c3cc(-c5ccccc5)cc(C(C)(C)C)c3)cc2N4c2ccc(C(C)(C)C)cc2-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C111H83BN4O/c1-70-57-93(91-45-30-44-90-89-43-24-29-50-106(89)117-109(90)91)107(103(58-70)115-98-48-27-22-41-87(98)88-42-23-28-49-99(88)115)76-52-55-94-101(66-76)114(83-63-79(72-33-14-9-15-34-72)60-80(64-83)73-35-16-10-17-36-73)104-68-84(113-96-46-25-20-39-85(96)86-40-21-26-47-97(86)113)69-105-108(104)112(94)95-54-51-75(78-59-77(71-31-12-8-13-32-71)61-82(62-78)111(5,6)7)65-102(95)116(105)100-56-53-81(110(2,3)4)67-92(100)74-37-18-11-19-38-74/h8-69H,1-7H3
InChIKeyNWQGXUWHLAEHJQ-UHFFFAOYSA-N
XLogP28.44
TPSA29.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.72
LogP ≤ 528.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),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

5-(4-tert-butyl-2-carbazol-9-yl-6-dibenzofuran-1-ylphenyl)-11-(3,6-ditert-butylcarbazol-9-yl)-14,17-bis(2,4-diphenylphenyl)-8-(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 170532915
5,17-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-dibenzofuran-4-yl-2-phenylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 174292063
5,17-ditert-butyl-8,14-bis(4-dibenzofuran-4-ylphenyl)-11-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 174292267
11-dibenzofuran-4-yl-8,14-bis(3,5-ditert-butylphenyl)-5,17-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164941392
9-[11-tert-butyl-8-(4-tert-butyl-2-phenylphenyl)-14-(3,5-diphenylphenyl)-17-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]-N,N-diphenylcarbazol-3-amine
CID 174136775
8-[4-tert-butyl-2,6-di(dibenzofuran-1-yl)phenyl]-14-(4-tert-butyl-2,6-diphenylphenyl)-11-carbazol-9-yl-17-(3,6-ditert-butylcarbazol-9-yl)-4-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 171596339
11-tert-butyl-5,17-bis(4-carbazol-9-ylphenyl)-8,14-bis(3-dibenzofuran-4-yldibenzofuran-2-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 177067429
4,17-ditert-butyl-14-(4-tert-butyl-2-phenylphenyl)-8-(4-dibenzofuran-2-ylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 170723314
18,24-ditert-butyl-15-(4-tert-butyl-2,6-dimethylphenyl)-21-(4-dibenzofuran-4-ylphenyl)-11-phenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene
CID 177058716
18,24-ditert-butyl-15-(4-dibenzofuran-4-yl-2,6-dimethylphenyl)-21-(2,6-dimethyl-4-phenylphenyl)-11-phenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22(27),23,25-dodecaene
CID 177058717
11-tert-butyl-8,14-bis(4-tert-butyl-2-phenylphenyl)-4-dibenzofuran-4-yl-17-spiro[fluorene-9,12'-indeno[1,2-c]carbazole]-5'-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 176873835
9-[11-tert-butyl-8-(4-tert-butyl-2-phenylphenyl)-17-carbazol-9-yl-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]-N,N-diphenylcarbazol-3-amine
CID 174136766

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 174156731) is 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is Cc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)N(c2cc(-c4ccccc4)cc(-c4ccccc4)c2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-c3cc(-c5ccccc5)cc(C(C)(C)C)c3)cc2N4c2ccc(C(C)(C)C)cc2-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is NWQGXUWHLAEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H83BN4O/c1-70-57-93(91-45-30-44-90-89-43-24-29-50-106(89)117-109(90)91)107(103(58-70)115-98-48-27-22-41-87(98)88-42-23-28-49-99(88)115)76-52-55-94-101(66-76)114(83-63-79(72-33-14-9-15-34-72)60-80(64-83)73-35-16-10-17-36-73)104-68-84(113-96-46-25-20-39-85(96)86-40-21-26-47-97(86)113)69-105-108(104)112(94)95-54-51-75(78-59-77(71-31-12-8-13-32-71)61-82(62-78)111(5,6)7)65-102(95)116(105)100-56-53-81(110(2,3)4)67-92(100)74-37-18-11-19-38-74/h8-69H,1-7H3.
What are the key properties of 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 1499.72 g/mol, XLogP of 28.44, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-5-phenylphenyl)-8-(4-tert-butyl-2-phenylphenyl)-11-carbazol-9-yl-17-(2-carbazol-9-yl-6-dibenzofuran-4-yl-4-methylphenyl)-14-(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 174156731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).