14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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

C67H42BF2NO — CID 169282237

IUPAC14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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
SMILESFc1cccc(-c2ccc3c(c2)B2c4cc(-c5cccc(F)c5)ccc4N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc(c42)O3)c1
InChIInChI=1S/C67H42BF2NO/c69-53-24-14-20-45(35-53)47-30-32-62-60(39-47)68-61-40-48(46-21-15-25-54(70)36-46)31-33-64(61)72-65-42-52(67(51-22-8-3-9-23-51)58-28-12-10-26-56(58)57-27-11-13-29-59(57)67)41-63(66(65)68)71(62)55-37-49(43-16-4-1-5-17-43)34-50(38-55)44-18-6-2-7-19-44/h1-42H
InChIKeySDTQARVNDVWAPJ-UHFFFAOYSA-N
MW925.89 g/mol
LogP15.40
Rot. Bonds7

About 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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

14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 (PubChem CID 169282237) has the molecular formula C67H42BF2NO and a molecular weight of 925.89 g/mol. Its IUPAC name is 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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.

Molecular Properties

Compound Name14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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
PubChem CID169282237
Molecular FormulaC67H42BF2NO
Molecular Weight925.89 g/mol
Exact Mass925.33
IUPAC Name14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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
SMILESFc1cccc(-c2ccc3c(c2)B2c4cc(-c5cccc(F)c5)ccc4N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc(c42)O3)c1
InChIInChI=1S/C67H42BF2NO/c69-53-24-14-20-45(35-53)47-30-32-62-60(39-47)68-61-40-48(46-21-15-25-54(70)36-46)31-33-64(61)72-65-42-52(67(51-22-8-3-9-23-51)58-28-12-10-26-56(58)57-27-11-13-29-59(57)67)41-63(66(65)68)71(62)55-37-49(43-16-4-1-5-17-43)34-50(38-55)44-18-6-2-7-19-44/h1-42H
InChIKeySDTQARVNDVWAPJ-UHFFFAOYSA-N
XLogP15.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.89
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 with MolForge

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Related Compounds

11-(9-phenylfluoren-9-yl)-4,18-bis(2-phenylphenyl)-8,14-bis(4-phenylphenyl)-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 169282242
8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-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 169282243
8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,18-diphenyl-11-(9-phenylfluoren-9-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 169282180
8,14-bis(4-tert-butyl-2-phenylphenyl)-4,18-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-11-(9-phenylfluoren-9-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 169282264
12,18-bis(3,5-diphenylphenyl)-15-(9,9'-spirobi[fluorene]-3-yl)-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 170670525
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
14-(4-tert-butyl-2,6-diphenylphenyl)-4,17-bis(3,5-ditert-butylphenyl)-11-(9,9-diphenylfluoren-4-yl)-8-(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 172526603
25-tert-butyl-21-(3,5-diphenylphenyl)-N,N,5,5-tetraphenyl-15-(4-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaen-18-amine
CID 169076624
4,14-diphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 123449236
14,20,24,28-tetrakis(3,5-difluorophenyl)-10,32,38,44-tetraphenyl-41-oxa-14,20,24,28,48-pentaza-3,7,35-triboratetradecacyclo[25.21.1.17,15.136,40.02,25.03,46.04,23.06,21.08,13.029,34.035,49.042,47.019,51.048,50]henpentaconta-1(49),2(25),4(23),5,8(13),9,11,15(51),16,18,21,26,29(34),30,32,36,38,40(50),42(47),43,45-henicosaene
CID 170544384
11-methyl-14-(2-naphthalen-1-yl-4-phenylphenyl)-4,18-diphenyl-8-oxa-14-aza-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 147174765
CID 169076693
CID 169076693

Frequently Asked Questions

What is the IUPAC name of 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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?
The IUPAC name of 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 169282237) is 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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.
What is the SMILES notation for 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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?
The canonical SMILES for 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 is Fc1cccc(-c2ccc3c(c2)B2c4cc(-c5cccc(F)c5)ccc4N(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc(c42)O3)c1.
What is the InChIKey of 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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?
The InChIKey is SDTQARVNDVWAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42BF2NO/c69-53-24-14-20-45(35-53)47-30-32-62-60(39-47)68-61-40-48(46-21-15-25-54(70)36-46)31-33-64(61)72-65-42-52(67(51-22-8-3-9-23-51)58-28-12-10-26-56(58)57-27-11-13-29-59(57)67)41-63(66(65)68)71(62)55-37-49(43-16-4-1-5-17-43)34-50(38-55)44-18-6-2-7-19-44/h1-42H.
What are the key properties of 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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?
14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 has a molecular weight of 925.89 g/mol, XLogP of 15.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3,5-diphenylphenyl)-4,18-bis(3-fluorophenyl)-11-(9-phenylfluoren-9-yl)-8-oxa-14-aza-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 is sourced from PubChem (CID 169282237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).